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

C13H11FN2O2 — CID 73440583

IUPACN-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2/c14-9-3-1-8(2-4-9)12-11(15-7-18-12)13(17)16-10-5-6-10/h1-4,7,10H,5-6H2,(H,16,17)
InChIKeySBRGAFZASWEXNN-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.37
Rot. Bonds3

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

N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 73440583) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID73440583
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2/c14-9-3-1-8(2-4-9)12-11(15-7-18-12)13(17)16-10-5-6-10/h1-4,7,10H,5-6H2,(H,16,17)
InChIKeySBRGAFZASWEXNN-UHFFFAOYSA-N
XLogP2.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 139006714
5-(4-fluorophenyl)-N-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 139006704
N-(4-aminocyclohexyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 119478540
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
CID 51494370
5-(4-fluorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
CID 51494365
5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
CID 51494366
4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 67121088
5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide
CID 111462853
N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122887
5-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 51492681

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (CID 73440583) is N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is O=C(NC1CC1)c1ncoc1-c1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SBRGAFZASWEXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-9-3-1-8(2-4-9)12-11(15-7-18-12)13(17)16-10-5-6-10/h1-4,7,10H,5-6H2,(H,16,17).
What are the key properties of N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 73440583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).