(5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C18H19ClF4N2O3 — CID 162520581

IUPAC(5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)C2CCC(C(F)(F)F)CC2)O1
InChIInChI=1S/C18H19ClF4N2O3/c19-12-7-10(3-6-13(12)20)15(25-16(26)14-8-24-17(27)28-14)9-1-4-11(5-2-9)18(21,22)23/h3,6-7,9,11,14-15H,1-2,4-5,8H2,(H,24,27)(H,25,26)/t9?,11?,14-,15?/m0/s1
InChIKeyLVEOPGWDTZGGRO-JEOOTGQLSA-N
MW422.81 g/mol
LogP4.11
Rot. Bonds4

About (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520581) has the molecular formula C18H19ClF4N2O3 and a molecular weight of 422.81 g/mol. Its IUPAC name is (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520581
Molecular FormulaC18H19ClF4N2O3
Molecular Weight422.81 g/mol
Exact Mass422.10
IUPAC Name(5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)C2CCC(C(F)(F)F)CC2)O1
InChIInChI=1S/C18H19ClF4N2O3/c19-12-7-10(3-6-13(12)20)15(25-16(26)14-8-24-17(27)28-14)9-1-4-11(5-2-9)18(21,22)23/h3,6-7,9,11,14-15H,1-2,4-5,8H2,(H,24,27)(H,25,26)/t9?,11?,14-,15?/m0/s1
InChIKeyLVEOPGWDTZGGRO-JEOOTGQLSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.81
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520581) is (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)C2CCC(C(F)(F)F)CC2)O1.
What is the InChIKey of (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is LVEOPGWDTZGGRO-JEOOTGQLSA-N. The full InChI is InChI=1S/C18H19ClF4N2O3/c19-12-7-10(3-6-13(12)20)15(25-16(26)14-8-24-17(27)28-14)9-1-4-11(5-2-9)18(21,22)23/h3,6-7,9,11,14-15H,1-2,4-5,8H2,(H,24,27)(H,25,26)/t9?,11?,14-,15?/m0/s1.
What are the key properties of (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 422.81 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).