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

C8H11N3O2 — CID 130992052

IUPAC4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide
SMILESC=C(C)CNC(=O)c1nonc1C
InChIInChI=1S/C8H11N3O2/c1-5(2)4-9-8(12)7-6(3)10-13-11-7/h1,4H2,2-3H3,(H,9,12)
InChIKeySINHUHXWKNEMJT-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.68
Rot. Bonds3

About 4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 130992052) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID130992052
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide
SMILESC=C(C)CNC(=O)c1nonc1C
InChIInChI=1S/C8H11N3O2/c1-5(2)4-9-8(12)7-6(3)10-13-11-7/h1,4H2,2-3H3,(H,9,12)
InChIKeySINHUHXWKNEMJT-UHFFFAOYSA-N
XLogP0.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 109380773
3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
CID 114618847
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563
(2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
CID 130637404
N-[(2-chlorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691865
N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691868
4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide
CID 51596536
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110692041
N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide
CID 114618776
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide
CID 130778441

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide (CID 130992052) is 4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide is C=C(C)CNC(=O)c1nonc1C.
What is the InChIKey of 4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is SINHUHXWKNEMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(2)4-9-8(12)7-6(3)10-13-11-7/h1,4H2,2-3H3,(H,9,12).
What are the key properties of 4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 130992052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).