N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine

C12H22N2O — CID 22891614

IUPACN-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine
SMILESCC(C)CCCNc1ncc(C(C)C)o1
InChIInChI=1S/C12H22N2O/c1-9(2)6-5-7-13-12-14-8-11(15-12)10(3)4/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyYIWPAOMDZQGOSZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.65
Rot. Bonds6

About N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine

N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine (PubChem CID 22891614) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine
PubChem CID22891614
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine
SMILESCC(C)CCCNc1ncc(C(C)C)o1
InChIInChI=1S/C12H22N2O/c1-9(2)6-5-7-13-12-14-8-11(15-12)10(3)4/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyYIWPAOMDZQGOSZ-UHFFFAOYSA-N
XLogP3.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine?
The IUPAC name of N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine (CID 22891614) is N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine.
What is the SMILES notation for N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine?
The canonical SMILES for N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine is CC(C)CCCNc1ncc(C(C)C)o1.
What is the InChIKey of N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine?
The InChIKey is YIWPAOMDZQGOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)6-5-7-13-12-14-8-11(15-12)10(3)4/h8-10H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine?
N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine has a molecular weight of 210.32 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine is sourced from PubChem (CID 22891614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).