(4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide

C25H28F2N4O4 — CID 15463429

About (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide

(4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 15463429) has the molecular formula C25H28F2N4O4 and a molecular weight of 486.52 g/mol. Its IUPAC name is (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

• Compound Name: (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
• PubChem CID: 15463429
• Molecular Formula: C25H28F2N4O4
• Molecular Weight: 486.52 g/mol
• Exact Mass: 486.21
• IUPAC Name: (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
• SMILES: O=C(N[C@@H]1CCN(C2CCC(O)(c3ccccn3)CC2)C1)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1
• InChI: InChI=1S/C25H28F2N4O4/c26-19-5-4-16(13-20(19)27)21-15-35-24(33)31(21)23(32)29-17-8-12-30(14-17)18-6-9-25(34,10-7-18)22-3-1-2-11-28-22/h1-5,11,13,17-18,21,34H,6-10,12,14-15H2,(H,29,32)/t17-,18?,21-,25?/m1/s1
• InChIKey: CVJLFKUPUKIXGH-AQAAPKSHSA-N
• XLogP: 3.47
• TPSA: 95.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.52
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?

The IUPAC name of (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 15463429) is (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide.

What is the SMILES notation for (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?

The canonical SMILES for (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide is O=C(N[C@@H]1CCN(C2CCC(O)(c3ccccn3)CC2)C1)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1.

What is the InChIKey of (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?

The InChIKey is CVJLFKUPUKIXGH-AQAAPKSHSA-N. The full InChI is InChI=1S/C25H28F2N4O4/c26-19-5-4-16(13-20(19)27)21-15-35-24(33)31(21)23(32)29-17-8-12-30(14-17)18-6-9-25(34,10-7-18)22-3-1-2-11-28-22/h1-5,11,13,17-18,21,34H,6-10,12,14-15H2,(H,29,32)/t17-,18?,21-,25?/m1/s1.

What are the key properties of (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?

(4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 15463429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).