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

C16H11FN2O2 — CID 2769315

IUPACN-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C16H11FN2O2/c17-12-6-8-13(9-7-12)18-16(20)15-10-14(19-21-15)11-4-2-1-3-5-11/h1-10H,(H,18,20)
InChIKeyVXEYUUJPPYMVLO-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.73
Rot. Bonds3

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

N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 2769315) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID2769315
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC NameN-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C16H11FN2O2/c17-12-6-8-13(9-7-12)18-16(20)15-10-14(19-21-15)11-4-2-1-3-5-11/h1-10H,(H,18,20)
InChIKeyVXEYUUJPPYMVLO-UHFFFAOYSA-N
XLogP3.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 2769315) is N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is VXEYUUJPPYMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-12-6-8-13(9-7-12)18-16(20)15-10-14(19-21-15)11-4-2-1-3-5-11/h1-10H,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 282.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2769315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).