(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

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-[(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).