3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine

C15H20N2O — CID 55130857

IUPAC3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCCCCc1noc(N)c1-c1ccc(C)c(C)c1
InChIInChI=1S/C15H20N2O/c1-4-5-6-13-14(15(16)18-17-13)12-8-7-10(2)11(3)9-12/h7-9H,4-6,16H2,1-3H3
InChIKeyYLPMLDDJOITWGD-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.88
Rot. Bonds4

About 3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine

3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine (PubChem CID 55130857) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine
PubChem CID55130857
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCCCCc1noc(N)c1-c1ccc(C)c(C)c1
InChIInChI=1S/C15H20N2O/c1-4-5-6-13-14(15(16)18-17-13)12-8-7-10(2)11(3)9-12/h7-9H,4-6,16H2,1-3H3
InChIKeyYLPMLDDJOITWGD-UHFFFAOYSA-N
XLogP3.88
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butyl-4-(3,4-dimethylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine (CID 55130857) is 3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine is CCCCc1noc(N)c1-c1ccc(C)c(C)c1.
What is the InChIKey of 3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is YLPMLDDJOITWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-5-6-13-14(15(16)18-17-13)12-8-7-10(2)11(3)9-12/h7-9H,4-6,16H2,1-3H3.
What are the key properties of 3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine?
3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 55130857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).