(5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C17H16ClN3O4 — CID 162520721

IUPAC(5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1ccc([C@H](NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H16ClN3O4/c1-24-14-7-4-11(8-19-14)15(10-2-5-12(18)6-3-10)21-16(22)13-9-20-17(23)25-13/h2-8,13,15H,9H2,1H3,(H,20,23)(H,21,22)/t13-,15+/m0/s1
InChIKeyHYZMQBCLQBYNAC-DZGCQCFKSA-N
MW361.79 g/mol
LogP2.06
Rot. Bonds5

About (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520721) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520721
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Name(5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1ccc([C@H](NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H16ClN3O4/c1-24-14-7-4-11(8-19-14)15(10-2-5-12(18)6-3-10)21-16(22)13-9-20-17(23)25-13/h2-8,13,15H,9H2,1H3,(H,20,23)(H,21,22)/t13-,15+/m0/s1
InChIKeyHYZMQBCLQBYNAC-DZGCQCFKSA-N
XLogP2.06
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

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
(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166899546
(5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520644
(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520720
N-[(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520732
(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520725
N-[(3,5-dichlorophenyl)-phenylmethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849441
(5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 170217816
N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 175423820
(5S)-N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166899295
(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520678

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520721) is (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is COc1ccc([C@H](NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)cn1.
What is the InChIKey of (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is HYZMQBCLQBYNAC-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-24-14-7-4-11(8-19-14)15(10-2-5-12(18)6-3-10)21-16(22)13-9-20-17(23)25-13/h2-8,13,15H,9H2,1H3,(H,20,23)(H,21,22)/t13-,15+/m0/s1.
What are the key properties of (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 361.79 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).