5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide

C17H14N2O3 — CID 4775508

IUPAC5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
SMILESO=C(NOCc1ccccc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H14N2O3/c20-17(19-21-12-13-7-3-1-4-8-13)15-11-16(22-18-15)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,20)
InChIKeyGGNOSCKAYSMDLI-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.20
Rot. Bonds5

About 5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide

5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide (PubChem CID 4775508) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
PubChem CID4775508
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
SMILESO=C(NOCc1ccccc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H14N2O3/c20-17(19-21-12-13-7-3-1-4-8-13)15-11-16(22-18-15)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,20)
InChIKeyGGNOSCKAYSMDLI-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 32581167
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 118877210
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951
N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 39432381
(2S)-6-amino-2-[[5-(4-phenylmethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]hexanoic acid
CID 139676223
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide
CID 41450831
(2S)-6-amino-2-[[5-(4-phenylmethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]hexanoic acid;hydrochloride
CID 139676222
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide (CID 4775508) is 5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide is O=C(NOCc1ccccc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide?
The InChIKey is GGNOSCKAYSMDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(19-21-12-13-7-3-1-4-8-13)15-11-16(22-18-15)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,20).
What are the key properties of 5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide?
5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4775508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).