Responsive image

Common name

N-(2,6-dimethylphenyl)-N-(2-oxo-1,3-oxazol-3-yl)formamide

IUPAC name

N-(2,6-dimethylphenyl)-N-(2-oxo-1,3-oxazol-3-yl)formamide

SMILES

n1(c(=O)occ1)N(C=O)c1c(C)cccc1C

Common name

N-(2,6-dimethylphenyl)-N-(2-oxo-1,3-oxazol-3-yl)formamide

IUPAC name

N-(2,6-dimethylphenyl)-N-(2-oxo-1,3-oxazol-3-yl)formamide

SMILES

n1(c(=O)occ1)N(C=O)c1c(C)cccc1C

INCHI

InChI=1S/C12H12N2O3/c1-9-4-3-5-10(2)11(9)14(8-15)13-6-7-17-12(13)16/h3-8H,1-2H3

FORMULA

C12H12N2O3

Responsive image

Common name

N-(2,6-dimethylphenyl)-N-(2-oxo-1,3-oxazol-3-yl)formamide

IUPAC name

N-(2,6-dimethylphenyl)-N-(2-oxo-1,3-oxazol-3-yl)formamide





Molecular weight

232.235

clogP

-1.962

clogS

-1.338

Frequency

0.0003





HBond Acceptor

3

HBond Donor

0

Total Polar
Surface Area

46.61

Number of Rings

2

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD02933 oxadixyl Responsive image Fungicide Fungicide
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3mxe_ligand_2_64.mol2 3mxe 0.314685 -6.25 FC(F)(F)c1ccccc1N1CCOC1=O 16
4r1y_ligand_4_370.mol2 4r1y 0.31405 -7.59 C(OC(=O)Nc1cc(C)ccc1)C 13
4r1y_ligand_3_136.mol2 4r1y 0.313559 -7.33 COC(=O)Nc1cc(ccc1)C 12
2i0a_ligand_2_0.mol2 2i0a 0.309353 -6.12 N1(C(=O)OCC1)c1ccc(C(=O)C)cc1 15
1q7a_ligand_1_0.mol2 1q7a 0.303704 -6.74 N1(C(=O)CC(=O)N1)c1ccccc1 13
3bl1_ligand_1_2.mol2 3bl1 0.302632 -6.12 C(O)NN1[C@H](Cc2c1cccc2)C 13
1q7a_ligand_2_3.mol2 1q7a 0.301471 -7.07 C[C@H]1C(=O)N(NC1=O)c1ccccc1 14
4kiq_ligand_1_1.mol2 4kiq 0.296296 -7.14 c1(c(cccc1)NC=O)C 10
3b2w_ligand_1_0.mol2 3b2w 0.296296 -6.90 N(C=O)c1ccccc1C 10
104 , 11