[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone

C15H14F2N2O2 — CID 110647460

IUPAC[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnoc1-c1ccc(F)c(F)c1)N1CCCCC1
InChIInChI=1S/C15H14F2N2O2/c16-12-5-4-10(8-13(12)17)14-11(9-18-21-14)15(20)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2
InChIKeyHBPKDXFKRRYVQZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.25
Rot. Bonds2

About [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone

[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 110647460) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
PubChem CID110647460
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnoc1-c1ccc(F)c(F)c1)N1CCCCC1
InChIInChI=1S/C15H14F2N2O2/c16-12-5-4-10(8-13(12)17)14-11(9-18-21-14)15(20)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2
InChIKeyHBPKDXFKRRYVQZ-UHFFFAOYSA-N
XLogP3.25
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone (CID 110647460) is [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone is O=C(c1cnoc1-c1ccc(F)c(F)c1)N1CCCCC1.
What is the InChIKey of [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is HBPKDXFKRRYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-12-5-4-10(8-13(12)17)14-11(9-18-21-14)15(20)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2.
What are the key properties of [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 292.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110647460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).