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

C22H16FN3O2 — CID 11675160

IUPAC3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C22H16FN3O2/c1-14-2-3-16(22-25-10-11-28-22)12-19(14)15-4-6-17(7-5-15)26-21(27)18-8-9-24-13-20(18)23/h2-13H,1H3,(H,26,27)
InChIKeyWPCGQXNFVBKJKW-UHFFFAOYSA-N
MW373.39 g/mol
LogP5.10
Rot. Bonds4

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

3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide (PubChem CID 11675160) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
PubChem CID11675160
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C22H16FN3O2/c1-14-2-3-16(22-25-10-11-28-22)12-19(14)15-4-6-17(7-5-15)26-21(27)18-8-9-24-13-20(18)23/h2-13H,1H3,(H,26,27)
InChIKeyWPCGQXNFVBKJKW-UHFFFAOYSA-N
XLogP5.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.39
LogP ≤ 55.10
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-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide (CID 11675160) is 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The InChIKey is WPCGQXNFVBKJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-14-2-3-16(22-25-10-11-28-22)12-19(14)15-4-6-17(7-5-15)26-21(27)18-8-9-24-13-20(18)23/h2-13H,1H3,(H,26,27).
What are the key properties of 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 5.10, 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-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 11675160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).