N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

C15H12FN3O2 — CID 75427047

IUPACN-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESN#CC1(NC(=O)c2cc(-c3ccc(F)cc3)on2)CCC1
InChIInChI=1S/C15H12FN3O2/c16-11-4-2-10(3-5-11)13-8-12(19-21-13)14(20)18-15(9-17)6-1-7-15/h2-5,8H,1,6-7H2,(H,18,20)
InChIKeyUAMGHTIQJJNGEB-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.66
Rot. Bonds3

About N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 75427047) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID75427047
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC NameN-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESN#CC1(NC(=O)c2cc(-c3ccc(F)cc3)on2)CCC1
InChIInChI=1S/C15H12FN3O2/c16-11-4-2-10(3-5-11)13-8-12(19-21-13)14(20)18-15(9-17)6-1-7-15/h2-5,8H,1,6-7H2,(H,18,20)
InChIKeyUAMGHTIQJJNGEB-UHFFFAOYSA-N
XLogP2.66
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-cyanocyclobutyl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56822008
2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide
CID 47084109
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 110000783
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 86922647
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 99598969
N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156744
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 75427047) is N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is N#CC1(NC(=O)c2cc(-c3ccc(F)cc3)on2)CCC1.
What is the InChIKey of N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UAMGHTIQJJNGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-11-4-2-10(3-5-11)13-8-12(19-21-13)14(20)18-15(9-17)6-1-7-15/h2-5,8H,1,6-7H2,(H,18,20).
What are the key properties of N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75427047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).