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

C14H25N3O2 — CID 3866540

IUPAC2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(C(N)CC(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-9(2)5-6-16-13(18)12-8-19-14(17-12)11(15)7-10(3)4/h8-11H,5-7,15H2,1-4H3,(H,16,18)
InChIKeyJRUVDCCSXDZYHJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.50
Rot. Bonds7

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

2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide (PubChem CID 3866540) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
PubChem CID3866540
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(C(N)CC(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-9(2)5-6-16-13(18)12-8-19-14(17-12)11(15)7-10(3)4/h8-11H,5-7,15H2,1-4H3,(H,16,18)
InChIKeyJRUVDCCSXDZYHJ-UHFFFAOYSA-N
XLogP2.50
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3512849
2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3585647
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3821910
N-(3-methylbutyl)-2-[(3-methylbutylamino)methyl]-1,3-oxazole-4-carboxamide
CID 42766132
2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3866343
2-(1-amino-3-methylbutyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3791845
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733
benzyl 2-[[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798249

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide (CID 3866540) is 2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide is CC(C)CCNC(=O)c1coc(C(N)CC(C)C)n1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JRUVDCCSXDZYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)5-6-16-13(18)12-8-19-14(17-12)11(15)7-10(3)4/h8-11H,5-7,15H2,1-4H3,(H,16,18).
What are the key properties of 2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.50, 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-(3-methylbutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3866540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).