3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide

C21H18FN3O2 — CID 24830317

IUPAC3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C2=C(c3cnco3)CCCC2)cc1)c1ccncc1F
InChIInChI=1S/C21H18FN3O2/c22-19-11-23-10-9-18(19)21(26)25-15-7-5-14(6-8-15)16-3-1-2-4-17(16)20-12-24-13-27-20/h5-13H,1-4H2,(H,25,26)
InChIKeyRAYVZRVLHBVZJA-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.95
Rot. Bonds4

About 3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide

3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 24830317) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID24830317
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C2=C(c3cnco3)CCCC2)cc1)c1ccncc1F
InChIInChI=1S/C21H18FN3O2/c22-19-11-23-10-9-18(19)21(26)25-15-7-5-14(6-8-15)16-3-1-2-4-17(16)20-12-24-13-27-20/h5-13H,1-4H2,(H,25,26)
InChIKeyRAYVZRVLHBVZJA-UHFFFAOYSA-N
XLogP4.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide (CID 24830317) is 3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(C2=C(c3cnco3)CCCC2)cc1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is RAYVZRVLHBVZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-19-11-23-10-9-18(19)21(26)25-15-7-5-14(6-8-15)16-3-1-2-4-17(16)20-12-24-13-27-20/h5-13H,1-4H2,(H,25,26).
What are the key properties of 3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 24830317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).