2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide

C13H23N3O2 — CID 3865890

IUPAC2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1coc(C(N)CC(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-4-5-6-15-12(17)11-8-18-13(16-11)10(14)7-9(2)3/h8-10H,4-7,14H2,1-3H3,(H,15,17)
InChIKeyFJYXBFPXRACUQH-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.25
Rot. Bonds7

About 2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide

2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide (PubChem CID 3865890) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
PubChem CID3865890
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1coc(C(N)CC(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-4-5-6-15-12(17)11-8-18-13(16-11)10(14)7-9(2)3/h8-10H,4-7,14H2,1-3H3,(H,15,17)
InChIKeyFJYXBFPXRACUQH-UHFFFAOYSA-N
XLogP2.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.25
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

2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 3866540
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3585647
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3824160
2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3512849
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3303836

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide (CID 3865890) is 2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide is CCCCNC(=O)c1coc(C(N)CC(C)C)n1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide?
The InChIKey is FJYXBFPXRACUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-6-15-12(17)11-8-18-13(16-11)10(14)7-9(2)3/h8-10H,4-7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide?
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3865890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).