1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone

C22H19FN2O2 — CID 58110491

IUPAC1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone
SMILESO=C(Cc1ccc(C2=C(c3cnco3)CCCC2)cc1)c1ccncc1F
InChIInChI=1S/C22H19FN2O2/c23-20-12-24-10-9-19(20)21(26)11-15-5-7-16(8-6-15)17-3-1-2-4-18(17)22-13-25-14-27-22/h5-10,12-14H,1-4,11H2
InChIKeyVXBSQVDUKFZVAE-UHFFFAOYSA-N
MW362.40 g/mol
LogP5.12
Rot. Bonds5

About 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone

1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone (PubChem CID 58110491) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone
PubChem CID58110491
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone
SMILESO=C(Cc1ccc(C2=C(c3cnco3)CCCC2)cc1)c1ccncc1F
InChIInChI=1S/C22H19FN2O2/c23-20-12-24-10-9-19(20)21(26)11-15-5-7-16(8-6-15)17-3-1-2-4-18(17)22-13-25-14-27-22/h5-10,12-14H,1-4,11H2
InChIKeyVXBSQVDUKFZVAE-UHFFFAOYSA-N
XLogP5.12
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone with MolForge

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Related Compounds

OL-135
CID 10427006
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
4-[4-(4-Fluorophenyl)-1,3-oxazol-5-yl]pyridine
CID 16638995
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-benzylphenyl)propane
CID 16735162
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(p-tolyl)heptane
CID 16735382
7-(3-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735386
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 16736220
7-(2-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736627
7-(4-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736628
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-hexylphenyl)heptane
CID 16737012

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone (CID 58110491) is 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone is O=C(Cc1ccc(C2=C(c3cnco3)CCCC2)cc1)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone?
The InChIKey is VXBSQVDUKFZVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-20-12-24-10-9-19(20)21(26)11-15-5-7-16(8-6-15)17-3-1-2-4-18(17)22-13-25-14-27-22/h5-10,12-14H,1-4,11H2.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone?
1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone has a molecular weight of 362.40 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone is sourced from PubChem (CID 58110491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).