N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide

C15H27N3O2 — CID 119605837

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NC(C)(CN)C(C)C)on1
InChIInChI=1S/C15H27N3O2/c1-6-11(7-2)12-8-13(20-18-12)14(19)17-15(5,9-16)10(3)4/h8,10-11H,6-7,9,16H2,1-5H3,(H,17,19)
InChIKeyGMIUVDUXFYBLQS-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.68
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 119605837) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
PubChem CID119605837
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NC(C)(CN)C(C)C)on1
InChIInChI=1S/C15H27N3O2/c1-6-11(7-2)12-8-13(20-18-12)14(19)17-15(5,9-16)10(3)4/h8,10-11H,6-7,9,16H2,1-5H3,(H,17,19)
InChIKeyGMIUVDUXFYBLQS-UHFFFAOYSA-N
XLogP2.68
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119597712
2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 119199841
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119250422
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 81485679
3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119212226
N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119565191
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 81486962
N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride
CID 119606849
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 81486834
N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119429935
4-[[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
CID 119165631

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide (CID 119605837) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide is CCC(CC)c1cc(C(=O)NC(C)(CN)C(C)C)on1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is GMIUVDUXFYBLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-11(7-2)12-8-13(20-18-12)14(19)17-15(5,9-16)10(3)4/h8,10-11H,6-7,9,16H2,1-5H3,(H,17,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 119605837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).