Responsive image

Common name

[(2S)-2-ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone

IUPAC name

[(2S)-2-ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone

SMILES

CC1(N([C@](OC1)(C)CC)C(=O)N1C=NC=C1)C

Common name

[(2S)-2-ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone

IUPAC name

[(2S)-2-ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone

SMILES

CC1(N([C@](OC1)(C)CC)C(=O)N1C=NC=C1)C

INCHI

InChI=1S/C12H19N3O2/c1-5-12(4)15(11(2,3)8-17-12)10(16)14-7-6-13-9-14/h6-7,9H,5,8H2,1-4H3/p+1/t12-/m0/s1

FORMULA

C12H19N3O2

Responsive image

Common name

[(2S)-2-ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone

IUPAC name

[(2S)-2-ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone





Molecular weight

237.298

clogP

0.916

clogS

-1.750

Frequency

0.0003





HBond Acceptor

3

HBond Donor

0

Total Polar
Surface Area

47.36

Number of Rings

2

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD03045 oxpoconazole Responsive image Fungicide Fungicide
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2vrj_ligand.mol2 2vrj 0.421769 -8.35 S=C(N1[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC2)NCCCCCCCC 23
2prj_ligand.mol2 2prj 0.403226 -7.51 [C@@H]1([C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)NC(=O)C 16
5d9p_ligand.mol2 5d9p 0.403226 -6.88 [C@@H]1([C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)NC(=O)C 16
1kti_ligand.mol2 1kti 0.401515 -7.83 [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)NC(=O)NC(=O)C 19
100 , 11