N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide

C13H13N3O2 — CID 118877210

IUPACN-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC=CC(N)NC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C13H13N3O2/c1-2-12(14)15-13(17)10-8-11(18-16-10)9-6-4-3-5-7-9/h2-8,12H,1,14H2,(H,15,17)
InChIKeyBGSQAIHRAOJOLH-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.54
Rot. Bonds4

About N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 118877210) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118877210
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC=CC(N)NC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C13H13N3O2/c1-2-12(14)15-13(17)10-8-11(18-16-10)9-6-4-3-5-7-9/h2-8,12H,1,14H2,(H,15,17)
InChIKeyBGSQAIHRAOJOLH-UHFFFAOYSA-N
XLogP1.54
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 4775508
N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 99783279
3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 75429233
N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119589991
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121176253
5-phenyl-1,2-oxazole-3-carbothioic S-acid
CID 144767525
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 31883285
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93138369

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 118877210) is N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide is C=CC(N)NC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is BGSQAIHRAOJOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-12(14)15-13(17)10-8-11(18-16-10)9-6-4-3-5-7-9/h2-8,12H,1,14H2,(H,15,17).
What are the key properties of N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118877210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).