4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide

C17H17Cl2FN2O3 — CID 25181774

IUPAC4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1CO)c1noc(-c2ccc(Cl)c(F)c2)c1Cl
InChIInChI=1S/C17H17Cl2FN2O3/c18-11-6-5-9(7-12(11)20)16-14(19)15(22-25-16)17(24)21-13-4-2-1-3-10(13)8-23/h5-7,10,13,23H,1-4,8H2,(H,21,24)/t10-,13-/m1/s1
InChIKeyAGVBKGNOQJKWBY-ZWNOBZJWSA-N
MW387.24 g/mol
LogP4.07
Rot. Bonds4

About 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide

4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide (PubChem CID 25181774) has the molecular formula C17H17Cl2FN2O3 and a molecular weight of 387.24 g/mol. Its IUPAC name is 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
PubChem CID25181774
Molecular FormulaC17H17Cl2FN2O3
Molecular Weight387.24 g/mol
Exact Mass386.06
IUPAC Name4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1CO)c1noc(-c2ccc(Cl)c(F)c2)c1Cl
InChIInChI=1S/C17H17Cl2FN2O3/c18-11-6-5-9(7-12(11)20)16-14(19)15(22-25-16)17(24)21-13-4-2-1-3-10(13)8-23/h5-7,10,13,23H,1-4,8H2,(H,21,24)/t10-,13-/m1/s1
InChIKeyAGVBKGNOQJKWBY-ZWNOBZJWSA-N
XLogP4.07
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 25182039
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-5-sulfanylbenzamide
CID 106367904
4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 67121088
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
CID 114024825
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358612
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
CID 114179839

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide (CID 25181774) is 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CCCC[C@@H]1CO)c1noc(-c2ccc(Cl)c(F)c2)c1Cl.
What is the InChIKey of 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AGVBKGNOQJKWBY-ZWNOBZJWSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O3/c18-11-6-5-9(7-12(11)20)16-14(19)15(22-25-16)17(24)21-13-4-2-1-3-10(13)8-23/h5-7,10,13,23H,1-4,8H2,(H,21,24)/t10-,13-/m1/s1.
What are the key properties of 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide?
4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25181774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).