5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one

C25H18F5N3O2 — CID 66670140

IUPAC5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)cn1-c1c(F)ccc(F)c1F
InChIInChI=1S/C25H18F5N3O2/c26-15-2-3-16(19(29)11-15)24-22(32-25(35-24)13-7-9-31-10-8-13)14-1-6-20(34)33(12-14)23-18(28)5-4-17(27)21(23)30/h1-6,11-13,31H,7-10H2
InChIKeyDGXWTLHEEJHKMI-UHFFFAOYSA-N
MW487.43 g/mol
LogP5.32
Rot. Bonds4

About 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one

5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one (PubChem CID 66670140) has the molecular formula C25H18F5N3O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one
PubChem CID66670140
Molecular FormulaC25H18F5N3O2
Molecular Weight487.43 g/mol
Exact Mass487.13
IUPAC Name5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)cn1-c1c(F)ccc(F)c1F
InChIInChI=1S/C25H18F5N3O2/c26-15-2-3-16(19(29)11-15)24-22(32-25(35-24)13-7-9-31-10-8-13)14-1-6-20(34)33(12-14)23-18(28)5-4-17(27)21(23)30/h1-6,11-13,31H,7-10H2
InChIKeyDGXWTLHEEJHKMI-UHFFFAOYSA-N
XLogP5.32
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one?
The IUPAC name of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one (CID 66670140) is 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one.
What is the SMILES notation for 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one is O=c1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2F)cn1-c1c(F)ccc(F)c1F.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one?
The InChIKey is DGXWTLHEEJHKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F5N3O2/c26-15-2-3-16(19(29)11-15)24-22(32-25(35-24)13-7-9-31-10-8-13)14-1-6-20(34)33(12-14)23-18(28)5-4-17(27)21(23)30/h1-6,11-13,31H,7-10H2.
What are the key properties of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one?
5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one has a molecular weight of 487.43 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]-1-(2,3,6-trifluorophenyl)pyridin-2-one is sourced from PubChem (CID 66670140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).