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

C22H18F2N2O2 — CID 24830316

IUPAC2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2=C(c3cnco3)CCCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C22H18F2N2O2/c23-18-6-3-7-19(24)21(18)22(27)26-15-10-8-14(9-11-15)16-4-1-2-5-17(16)20-12-25-13-28-20/h3,6-13H,1-2,4-5H2,(H,26,27)
InChIKeyILNAEDUKNAAFAS-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.69
Rot. Bonds4

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

2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide (PubChem CID 24830316) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide
PubChem CID24830316
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2=C(c3cnco3)CCCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C22H18F2N2O2/c23-18-6-3-7-19(24)21(18)22(27)26-15-10-8-14(9-11-15)16-4-1-2-5-17(16)20-12-25-13-28-20/h3,6-13H,1-2,4-5H2,(H,26,27)
InChIKeyILNAEDUKNAAFAS-UHFFFAOYSA-N
XLogP5.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.69
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)cyclohexen-1-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide (CID 24830316) is 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide is O=C(Nc1ccc(C2=C(c3cnco3)CCCC2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide?
The InChIKey is ILNAEDUKNAAFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c23-18-6-3-7-19(24)21(18)22(27)26-15-10-8-14(9-11-15)16-4-1-2-5-17(16)20-12-25-13-28-20/h3,6-13H,1-2,4-5H2,(H,26,27).
What are the key properties of 2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]benzamide has a molecular weight of 380.39 g/mol, XLogP of 5.69, 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)cyclohexen-1-yl]phenyl]benzamide is sourced from PubChem (CID 24830316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).