3-pentan-3-yl-1,2-oxazol-5-amine

C8H14N2O — CID 13168213

IUPAC3-pentan-3-yl-1,2-oxazol-5-amine
SMILESCCC(CC)c1cc(N)on1
InChIInChI=1S/C8H14N2O/c1-3-6(4-2)7-5-8(9)11-10-7/h5-6H,3-4,9H2,1-2H3
InChIKeyWATBXBFPSOTARH-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.16
Rot. Bonds3

About 3-pentan-3-yl-1,2-oxazol-5-amine

3-pentan-3-yl-1,2-oxazol-5-amine (PubChem CID 13168213) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-pentan-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-pentan-3-yl-1,2-oxazol-5-amine
PubChem CID13168213
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-pentan-3-yl-1,2-oxazol-5-amine
SMILESCCC(CC)c1cc(N)on1
InChIInChI=1S/C8H14N2O/c1-3-6(4-2)7-5-8(9)11-10-7/h5-6H,3-4,9H2,1-2H3
InChIKeyWATBXBFPSOTARH-UHFFFAOYSA-N
XLogP2.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-pentan-3-yl-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine
CID 92402
3-(Propan-2-yl)-1,2-oxazol-5-amine
CID 2115208
3-(2,2-Dimethylpropyl)-1,2-oxazol-5-amine
CID 2117533
3-Tert-butyl-1,2-oxazol-5-amine
CID 2095694
3-Cyclopropyl-1,2-oxazol-5-amine
CID 16227779
3-Propyl-1,2-oxazol-5-amine
CID 2104061
3-(2-Methylpropyl)-1,2-oxazol-5-amine
CID 13377309
3-Cyclobutyl-1,2-oxazol-5-amine
CID 28905677
3-Ethyl-1,2-oxazol-5-amine
CID 10866295
3-(1-Methylcyclopropyl)-1,2-oxazol-5-amine
CID 55284695
3-Pentyl-1,2-oxazol-5-amine
CID 28980024
3-Cyclohexyl-4-methyl-1,2-oxazol-5-amine
CID 43158311

Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-pentan-3-yl-1,2-oxazol-5-amine (CID 13168213) is 3-pentan-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-pentan-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-pentan-3-yl-1,2-oxazol-5-amine is CCC(CC)c1cc(N)on1.
What is the InChIKey of 3-pentan-3-yl-1,2-oxazol-5-amine?
The InChIKey is WATBXBFPSOTARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-6(4-2)7-5-8(9)11-10-7/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 3-pentan-3-yl-1,2-oxazol-5-amine?
3-pentan-3-yl-1,2-oxazol-5-amine has a molecular weight of 154.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 13168213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).