5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide

C9H12N2O2 — CID 114618563

IUPAC5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
SMILESC=C(C)CNC(=O)c1cnoc1C
InChIInChI=1S/C9H12N2O2/c1-6(2)4-10-9(12)8-5-11-13-7(8)3/h5H,1,4H2,2-3H3,(H,10,12)
InChIKeyORQOLXYAPLPQDL-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.29
Rot. Bonds3

About 5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide

5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide (PubChem CID 114618563) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
PubChem CID114618563
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
SMILESC=C(C)CNC(=O)c1cnoc1C
InChIInChI=1S/C9H12N2O2/c1-6(2)4-10-9(12)8-5-11-13-7(8)3/h5H,1,4H2,2-3H3,(H,10,12)
InChIKeyORQOLXYAPLPQDL-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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Related Compounds

N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62657278
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114297508
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103969910
N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104593540
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43594338
N-cyano-5-methyl-1,2-oxazole-4-carboxamide
CID 79194148
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65119604
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide (CID 114618563) is 5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide is C=C(C)CNC(=O)c1cnoc1C.
What is the InChIKey of 5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide?
The InChIKey is ORQOLXYAPLPQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)4-10-9(12)8-5-11-13-7(8)3/h5H,1,4H2,2-3H3,(H,10,12).
What are the key properties of 5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide?
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-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 5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 114618563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).