N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide

C16H29N3O2 — CID 119597712

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NC(C)(CN)CC(C)C)on1
InChIInChI=1S/C16H29N3O2/c1-6-12(7-2)13-8-14(21-19-13)15(20)18-16(5,10-17)9-11(3)4/h8,11-12H,6-7,9-10,17H2,1-5H3,(H,18,20)
InChIKeyYADDSLLPJHIFHZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.07
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 119597712) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
PubChem CID119597712
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NC(C)(CN)CC(C)C)on1
InChIInChI=1S/C16H29N3O2/c1-6-12(7-2)13-8-14(21-19-13)15(20)18-16(5,10-17)9-11(3)4/h8,11-12H,6-7,9-10,17H2,1-5H3,(H,18,20)
InChIKeyYADDSLLPJHIFHZ-UHFFFAOYSA-N
XLogP3.07
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide (CID 119597712) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide is CCC(CC)c1cc(C(=O)NC(C)(CN)CC(C)C)on1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is YADDSLLPJHIFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-12(7-2)13-8-14(21-19-13)15(20)18-16(5,10-17)9-11(3)4/h8,11-12H,6-7,9-10,17H2,1-5H3,(H,18,20).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 119597712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).