(4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C27H20ClF3N6O4 — CID 71656676

About (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 71656676) has the molecular formula C27H20ClF3N6O4 and a molecular weight of 584.94 g/mol. Its IUPAC name is (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 71656676
• Molecular Formula: C27H20ClF3N6O4
• Molecular Weight: 584.94 g/mol
• Exact Mass: 584.12
• IUPAC Name: (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: N#Cc1ccnc(N2C(=O)OC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1
• InChI: InChI=1S/C27H20ClF3N6O4/c28-20-4-2-1-3-19(20)23(24(38)35-17-9-27(30,31)10-17)36(18-8-16(29)12-33-13-18)25(39)21-14-41-26(40)37(21)22-7-15(11-32)5-6-34-22/h1-8,12-13,17,21,23H,9-10,14H2,(H,35,38)/t21-,23-/m0/s1
• InChIKey: SCHVCLWDSRCNTE-GMAHTHKFSA-N
• XLogP: 4.15
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.94
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 71656676) is (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide is N#Cc1ccnc(N2C(=O)OC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1.

What is the InChIKey of (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is SCHVCLWDSRCNTE-GMAHTHKFSA-N. The full InChI is InChI=1S/C27H20ClF3N6O4/c28-20-4-2-1-3-19(20)23(24(38)35-17-9-27(30,31)10-17)36(18-8-16(29)12-33-13-18)25(39)21-14-41-26(40)37(21)22-7-15(11-32)5-6-34-22/h1-8,12-13,17,21,23H,9-10,14H2,(H,35,38)/t21-,23-/m0/s1.

What are the key properties of (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

(4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 584.94 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 71656676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).