N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

C17H14N2O3 — CID 60618920

IUPACN-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1ccon1
InChIInChI=1S/C17H14N2O3/c20-17(16-10-11-21-19-16)18-12-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-11H,12H2,(H,18,20)
InChIKeyOJVJGZURYFIXAY-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.40
Rot. Bonds5

About N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 60618920) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID60618920
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1ccon1
InChIInChI=1S/C17H14N2O3/c20-17(16-10-11-21-19-16)18-12-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-11H,12H2,(H,18,20)
InChIKeyOJVJGZURYFIXAY-UHFFFAOYSA-N
XLogP3.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
N-benzyl-1,2-oxazole-3-carboxamide;oxazepine
CID 162147126
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 76939190
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869
2-oxo-N-[(4-phenoxyphenyl)methyl]acetamide
CID 115166211
N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 144967801
N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 55037800
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 60618920) is N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccon1.
What is the InChIKey of N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OJVJGZURYFIXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(16-10-11-21-19-16)18-12-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-11H,12H2,(H,18,20).
What are the key properties of N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60618920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).