4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide

C9H15N3O2 — CID 81170882

IUPAC4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide
SMILESCNCCCC(=O)NCc1ccon1
InChIInChI=1S/C9H15N3O2/c1-10-5-2-3-9(13)11-7-8-4-6-14-12-8/h4,6,10H,2-3,5,7H2,1H3,(H,11,13)
InChIKeyMCXPRNGDMHPHRE-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.29
Rot. Bonds6

About 4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide

4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide (PubChem CID 81170882) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide
PubChem CID81170882
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide
SMILESCNCCCC(=O)NCc1ccon1
InChIInChI=1S/C9H15N3O2/c1-10-5-2-3-9(13)11-7-8-4-6-14-12-8/h4,6,10H,2-3,5,7H2,1H3,(H,11,13)
InChIKeyMCXPRNGDMHPHRE-UHFFFAOYSA-N
XLogP0.29
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Oxazol-3-ylmethanamine
CID 15079262
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(isoxazol-3-ylmethyl)-N-methylacetamide
CID 16187563
Methyl(1,2-oxazol-3-ylmethyl)amine
CID 23006272
1,2-Oxazol-3-ylmethanamine hydrochloride
CID 44607651
1-(1,2-Oxazol-3-ylmethyl)piperazine
CID 4914503
N-(2,2,2-Trifluoroethyl)-1,2-Oxazole-3-Carboxamide
CID 117587701
N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868342
N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
CID 71918343
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990256
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 72116467
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 72116529
1-ethyl-N-(3-isoxazolylmethyl)-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 72879217

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide (CID 81170882) is 4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide is CNCCCC(=O)NCc1ccon1.
What is the InChIKey of 4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide?
The InChIKey is MCXPRNGDMHPHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10-5-2-3-9(13)11-7-8-4-6-14-12-8/h4,6,10H,2-3,5,7H2,1H3,(H,11,13).
What are the key properties of 4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide?
4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide has a molecular weight of 197.24 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide is sourced from PubChem (CID 81170882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).