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

C24H26F2N4O3 — CID 20668542

IUPAC4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide
SMILESO=C(NC1CN(C2CCC(c3ccccn3)CC2)C1)N1C(=O)OCC1c1ccc(F)c(F)c1
InChIInChI=1S/C24H26F2N4O3/c25-19-9-6-16(11-20(19)26)22-14-33-24(32)30(22)23(31)28-17-12-29(13-17)18-7-4-15(5-8-18)21-3-1-2-10-27-21/h1-3,6,9-11,15,17-18,22H,4-5,7-8,12-14H2,(H,28,31)
InChIKeyDXDBPYPPVHAIGV-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.97
Rot. Bonds4

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

4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide (PubChem CID 20668542) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide
PubChem CID20668542
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC Name4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide
SMILESO=C(NC1CN(C2CCC(c3ccccn3)CC2)C1)N1C(=O)OCC1c1ccc(F)c(F)c1
InChIInChI=1S/C24H26F2N4O3/c25-19-9-6-16(11-20(19)26)22-14-33-24(32)30(22)23(31)28-17-12-29(13-17)18-7-4-15(5-8-18)21-3-1-2-10-27-21/h1-3,6,9-11,15,17-18,22H,4-5,7-8,12-14H2,(H,28,31)
InChIKeyDXDBPYPPVHAIGV-UHFFFAOYSA-N
XLogP3.97
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide (CID 20668542) is 4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide is O=C(NC1CN(C2CCC(c3ccccn3)CC2)C1)N1C(=O)OCC1c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide?
The InChIKey is DXDBPYPPVHAIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c25-19-9-6-16(11-20(19)26)22-14-33-24(32)30(22)23(31)28-17-12-29(13-17)18-7-4-15(5-8-18)21-3-1-2-10-27-21/h1-3,6,9-11,15,17-18,22H,4-5,7-8,12-14H2,(H,28,31).
What are the key properties of 4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide?
4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-oxo-N-[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 20668542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).