3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide

C16H17N3O3 — CID 18158423

IUPAC3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C16H17N3O3/c1-4-9-17-15(20)12-7-5-6-8-13(12)18-16(21)14-10(2)19-22-11(14)3/h4-8H,1,9H2,2-3H3,(H,17,20)(H,18,21)
InChIKeyZVXHUYJCSFRJHF-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.46
Rot. Bonds5

About 3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 18158423) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID18158423
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C16H17N3O3/c1-4-9-17-15(20)12-7-5-6-8-13(12)18-16(21)14-10(2)19-22-11(14)3/h4-8H,1,9H2,2-3H3,(H,17,20)(H,18,21)
InChIKeyZVXHUYJCSFRJHF-UHFFFAOYSA-N
XLogP2.46
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 18158437
3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 34746741
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 18158409
2-(ethylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932772
N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7718787
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 18158423) is 3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZVXHUYJCSFRJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-4-9-17-15(20)12-7-5-6-8-13(12)18-16(21)14-10(2)19-22-11(14)3/h4-8H,1,9H2,2-3H3,(H,17,20)(H,18,21).
What are the key properties of 3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18158423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).