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

C17H19N3O3 — CID 18158437

IUPAC3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1c(CC)noc1C
InChIInChI=1S/C17H19N3O3/c1-4-10-18-16(21)12-8-6-7-9-14(12)19-17(22)15-11(3)23-20-13(15)5-2/h4,6-9H,1,5,10H2,2-3H3,(H,18,21)(H,19,22)
InChIKeyUFDHEVINNSKCLE-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.71
Rot. Bonds6

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

3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 18158437) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID18158437
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1c(CC)noc1C
InChIInChI=1S/C17H19N3O3/c1-4-10-18-16(21)12-8-6-7-9-14(12)19-17(22)15-11(3)23-20-13(15)5-2/h4,6-9H,1,5,10H2,2-3H3,(H,18,21)(H,19,22)
InChIKeyUFDHEVINNSKCLE-UHFFFAOYSA-N
XLogP2.71
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.71
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

3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 18158423
N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299
N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18090028
3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 34746741
3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833014
N-(2-benzylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8023443
N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173585
N-(2,3-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47450846
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 18158437) is 3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1c(CC)noc1C.
What is the InChIKey of 3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is UFDHEVINNSKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-10-18-16(21)12-8-6-7-9-14(12)19-17(22)15-11(3)23-20-13(15)5-2/h4,6-9H,1,5,10H2,2-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18158437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).