2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide

C20H15FN4O3 — CID 48908703

IUPAC2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide
SMILESN#CC(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccn1
InChIInChI=1S/C20H15FN4O3/c21-14-6-4-13(5-7-14)17-12-24-19(28-17)9-8-16(26)15(11-22)20(27)25-18-3-1-2-10-23-18/h1-7,10,12,15H,8-9H2,(H,23,25,27)
InChIKeyMAEYYEVEANRTFW-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.16
Rot. Bonds7

About 2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide

2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide (PubChem CID 48908703) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide.

Molecular Properties

Compound Name2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide
PubChem CID48908703
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Name2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide
SMILESN#CC(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccn1
InChIInChI=1S/C20H15FN4O3/c21-14-6-4-13(5-7-14)17-12-24-19(28-17)9-8-16(26)15(11-22)20(27)25-18-3-1-2-10-23-18/h1-7,10,12,15H,8-9H2,(H,23,25,27)
InChIKeyMAEYYEVEANRTFW-UHFFFAOYSA-N
XLogP3.16
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 48909055
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
(2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide
CID 98506736
ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate
CID 100633701
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18160896
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33373655
2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide
CID 48731838
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide?
The IUPAC name of 2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide (CID 48908703) is 2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide.
What is the SMILES notation for 2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide?
The canonical SMILES for 2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide is N#CC(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccn1.
What is the InChIKey of 2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide?
The InChIKey is MAEYYEVEANRTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c21-14-6-4-13(5-7-14)17-12-24-19(28-17)9-8-16(26)15(11-22)20(27)25-18-3-1-2-10-23-18/h1-7,10,12,15H,8-9H2,(H,23,25,27).
What are the key properties of 2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide?
2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide has a molecular weight of 378.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide is sourced from PubChem (CID 48908703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).