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

C23H17FN2O2 — CID 6489706

IUPACN-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1ncoc1-c1ccccc1F
InChIInChI=1S/C23H17FN2O2/c24-19-12-6-5-11-18(19)22-21(25-15-28-22)23(27)26-20-13-7-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,26,27)
InChIKeyKXARAULZYDDRKG-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.32
Rot. Bonds5

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

N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 6489706) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID6489706
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC NameN-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1ncoc1-c1ccccc1F
InChIInChI=1S/C23H17FN2O2/c24-19-12-6-5-11-18(19)22-21(25-15-28-22)23(27)26-20-13-7-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,26,27)
InChIKeyKXARAULZYDDRKG-UHFFFAOYSA-N
XLogP5.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122805
N-(2-benzylphenyl)-3-methylfuran-2-carboxamide
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3-(2-benzylanilino)-3-oxopropanoic acid
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N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide
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5-benzyl-1,3-oxazole-4-carbohydrazide
CID 100802146
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CID 51492681

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide (CID 6489706) is N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)c1ncoc1-c1ccccc1F.
What is the InChIKey of N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KXARAULZYDDRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c24-19-12-6-5-11-18(19)22-21(25-15-28-22)23(27)26-20-13-7-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,26,27).
What are the key properties of N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide?
N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 6489706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).