N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C17H14N2O3 — CID 5309594

IUPACN-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C17H14N2O3/c20-14-8-4-7-13(9-14)16-10-15(19-22-16)17(21)18-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H,18,21)
InChIKeyFFLZJCHOJQBWBV-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.98
Rot. Bonds4

About N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 5309594) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID5309594
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C17H14N2O3/c20-14-8-4-7-13(9-14)16-10-15(19-22-16)17(21)18-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H,18,21)
InChIKeyFFLZJCHOJQBWBV-UHFFFAOYSA-N
XLogP2.98
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
(R)-N-(2,3-Dihydro-1H-inden-1-yl)-5-(4-(dimethylcarbamoyl)-3-hydroxyphenyl)isoxazole-3-carboxamide
CID 155925909
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093763
5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)isoxazole-3-carboxamide
CID 15988802
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide
CID 60167648

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 5309594) is N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is O=C(NCc1ccccc1)c1cc(-c2cccc(O)c2)on1.
What is the InChIKey of N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FFLZJCHOJQBWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-14-8-4-7-13(9-14)16-10-15(19-22-16)17(21)18-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H,18,21).
What are the key properties of N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).