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

C25H28F2N4O4 — CID 21187614

IUPAC4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESO=C(NC1CCN(C2CCC(O)(c3ccccn3)CC2)C1)N1C(=O)OCC1c1ccc(F)c(F)c1
InChIInChI=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)
InChIKeyCVJLFKUPUKIXGH-UHFFFAOYSA-N
MW486.52 g/mol
LogP3.47
Rot. Bonds4

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

4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 21187614) has the molecular formula C25H28F2N4O4 and a molecular weight of 486.52 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID21187614
Molecular FormulaC25H28F2N4O4
Molecular Weight486.52 g/mol
Exact Mass486.21
IUPAC Name4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESO=C(NC1CCN(C2CCC(O)(c3ccccn3)CC2)C1)N1C(=O)OCC1c1ccc(F)c(F)c1
InChIInChI=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)
InChIKeyCVJLFKUPUKIXGH-UHFFFAOYSA-N
XLogP3.47
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 21187614) is 4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide is O=C(NC1CCN(C2CCC(O)(c3ccccn3)CC2)C1)N1C(=O)OCC1c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is CVJLFKUPUKIXGH-UHFFFAOYSA-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).
What are the key properties of 4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?
4-(3,4-difluorophenyl)-N-[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 4-(3,4-difluorophenyl)-N-[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 21187614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).