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

C17H13ClF3N3O3 — CID 162520598

IUPAC(5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(F)c(C(F)F)n2)O1
InChIInChI=1S/C17H13ClF3N3O3/c18-9-3-1-8(2-4-9)13(24-16(25)12-7-22-17(26)27-12)11-6-5-10(19)14(23-11)15(20)21/h1-6,12-13,15H,7H2,(H,22,26)(H,24,25)/t12-,13-/m0/s1
InChIKeyCCQWNCQKKAHIMR-STQMWFEESA-N
MW399.76 g/mol
LogP3.13
Rot. Bonds5

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

(5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520598) has the molecular formula C17H13ClF3N3O3 and a molecular weight of 399.76 g/mol. Its IUPAC name is (5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520598
Molecular FormulaC17H13ClF3N3O3
Molecular Weight399.76 g/mol
Exact Mass399.06
IUPAC Name(5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(F)c(C(F)F)n2)O1
InChIInChI=1S/C17H13ClF3N3O3/c18-9-3-1-8(2-4-9)13(24-16(25)12-7-22-17(26)27-12)11-6-5-10(19)14(23-11)15(20)21/h1-6,12-13,15H,7H2,(H,22,26)(H,24,25)/t12-,13-/m0/s1
InChIKeyCCQWNCQKKAHIMR-STQMWFEESA-N
XLogP3.13
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.76
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520598) is (5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(F)c(C(F)F)n2)O1.
What is the InChIKey of (5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is CCQWNCQKKAHIMR-STQMWFEESA-N. The full InChI is InChI=1S/C17H13ClF3N3O3/c18-9-3-1-8(2-4-9)13(24-16(25)12-7-22-17(26)27-12)11-6-5-10(19)14(23-11)15(20)21/h1-6,12-13,15H,7H2,(H,22,26)(H,24,25)/t12-,13-/m0/s1.
What are the key properties of (5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 399.76 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).