3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide

C9H12N2O2 — CID 114618847

IUPAC3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
SMILESC=C(C)CNC(=O)c1cc(C)no1
InChIInChI=1S/C9H12N2O2/c1-6(2)5-10-9(12)8-4-7(3)11-13-8/h4H,1,5H2,2-3H3,(H,10,12)
InChIKeyMTSMUAQWJUHJLS-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.29
Rot. Bonds3

About 3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide

3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide (PubChem CID 114618847) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
PubChem CID114618847
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
SMILESC=C(C)CNC(=O)c1cc(C)no1
InChIInChI=1S/C9H12N2O2/c1-6(2)5-10-9(12)8-4-7(3)11-13-8/h4H,1,5H2,2-3H3,(H,10,12)
InChIKeyMTSMUAQWJUHJLS-UHFFFAOYSA-N
XLogP1.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide (CID 114618847) is 3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide is C=C(C)CNC(=O)c1cc(C)no1.
What is the InChIKey of 3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide?
The InChIKey is MTSMUAQWJUHJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)5-10-9(12)8-4-7(3)11-13-8/h4H,1,5H2,2-3H3,(H,10,12).
What are the key properties of 3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 114618847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).