3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide

C15H15N3O3 — CID 34746741

IUPAC3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc(C)no1
InChIInChI=1S/C15H15N3O3/c1-3-8-16-14(19)11-6-4-5-7-12(11)17-15(20)13-9-10(2)18-21-13/h3-7,9H,1,8H2,2H3,(H,16,19)(H,17,20)
InChIKeyVZLCIFAAXRUUDK-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.15
Rot. Bonds5

About 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 34746741) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID34746741
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc(C)no1
InChIInChI=1S/C15H15N3O3/c1-3-8-16-14(19)11-6-4-5-7-12(11)17-15(20)13-9-10(2)18-21-13/h3-7,9H,1,8H2,2H3,(H,16,19)(H,17,20)
InChIKeyVZLCIFAAXRUUDK-UHFFFAOYSA-N
XLogP2.15
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 18158423
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
CID 43911392
3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 18158437
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
2-(ethylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932772
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880182
2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 134008567
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 35277906

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide (CID 34746741) is 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1cc(C)no1.
What is the InChIKey of 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VZLCIFAAXRUUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-8-16-14(19)11-6-4-5-7-12(11)17-15(20)13-9-10(2)18-21-13/h3-7,9H,1,8H2,2H3,(H,16,19)(H,17,20).
What are the key properties of 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 34746741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).