2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide

C21H16F2N2O2 — CID 24830484

IUPAC2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2=C(c3cnco3)CCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H16F2N2O2/c22-17-5-2-6-18(23)20(17)21(26)25-14-9-7-13(8-10-14)15-3-1-4-16(15)19-11-24-12-27-19/h2,5-12H,1,3-4H2,(H,25,26)
InChIKeyFEFXYVMHIAVMSM-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.30
Rot. Bonds4

About 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide

2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide (PubChem CID 24830484) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide
PubChem CID24830484
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2=C(c3cnco3)CCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H16F2N2O2/c22-17-5-2-6-18(23)20(17)21(26)25-14-9-7-13(8-10-14)15-3-1-4-16(15)19-11-24-12-27-19/h2,5-12H,1,3-4H2,(H,25,26)
InChIKeyFEFXYVMHIAVMSM-UHFFFAOYSA-N
XLogP5.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide (CID 24830484) is 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide is O=C(Nc1ccc(C2=C(c3cnco3)CCC2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide?
The InChIKey is FEFXYVMHIAVMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c22-17-5-2-6-18(23)20(17)21(26)25-14-9-7-13(8-10-14)15-3-1-4-16(15)19-11-24-12-27-19/h2,5-12H,1,3-4H2,(H,25,26).
What are the key properties of 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide has a molecular weight of 366.37 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclopenten-1-yl]phenyl]benzamide is sourced from PubChem (CID 24830484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).