(5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C16H17ClF2N2O3 — CID 167528065

IUPAC(5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CCC(F)(F)C2)O1
InChIInChI=1S/C16H17ClF2N2O3/c17-11-3-1-9(2-4-11)13(10-5-6-16(18,19)7-10)21-14(22)12-8-20-15(23)24-12/h1-4,10,12-13H,5-8H2,(H,20,23)(H,21,22)/t10-,12-,13-/m0/s1
InChIKeyOFSIMCMCOAGZCG-DRZSPHRISA-N
MW358.77 g/mol
LogP3.04
Rot. Bonds4

About (5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 167528065) has the molecular formula C16H17ClF2N2O3 and a molecular weight of 358.77 g/mol. Its IUPAC name is (5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID167528065
Molecular FormulaC16H17ClF2N2O3
Molecular Weight358.77 g/mol
Exact Mass358.09
IUPAC Name(5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CCC(F)(F)C2)O1
InChIInChI=1S/C16H17ClF2N2O3/c17-11-3-1-9(2-4-11)13(10-5-6-16(18,19)7-10)21-14(22)12-8-20-15(23)24-12/h1-4,10,12-13H,5-8H2,(H,20,23)(H,21,22)/t10-,12-,13-/m0/s1
InChIKeyOFSIMCMCOAGZCG-DRZSPHRISA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520581
(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520725
(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166899546
N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 175423866
(5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520683
N-[(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520732
(5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520644
(4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520917
(5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520721
(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520720
N-[(3,5-dichlorophenyl)-phenylmethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849441
N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
CID 119271202

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 167528065) is (5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CCC(F)(F)C2)O1.
What is the InChIKey of (5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is OFSIMCMCOAGZCG-DRZSPHRISA-N. The full InChI is InChI=1S/C16H17ClF2N2O3/c17-11-3-1-9(2-4-11)13(10-5-6-16(18,19)7-10)21-14(22)12-8-20-15(23)24-12/h1-4,10,12-13H,5-8H2,(H,20,23)(H,21,22)/t10-,12-,13-/m0/s1.
What are the key properties of (5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 358.77 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 167528065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).