4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine

C14H18N2OS — CID 79217867

IUPAC4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
SMILESCSc1ccccc1-c1noc(N)c1CC(C)C
InChIInChI=1S/C14H18N2OS/c1-9(2)8-11-13(16-17-14(11)15)10-6-4-5-7-12(10)18-3/h4-7,9H,8,15H2,1-3H3
InChIKeyGBRRHAHLFWYGNR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.84
Rot. Bonds4

About 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine

4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine (PubChem CID 79217867) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
PubChem CID79217867
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
SMILESCSc1ccccc1-c1noc(N)c1CC(C)C
InChIInChI=1S/C14H18N2OS/c1-9(2)8-11-13(16-17-14(11)15)10-6-4-5-7-12(10)18-3/h4-7,9H,8,15H2,1-3H3
InChIKeyGBRRHAHLFWYGNR-UHFFFAOYSA-N
XLogP3.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-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 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine (CID 79217867) is 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine is CSc1ccccc1-c1noc(N)c1CC(C)C.
What is the InChIKey of 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The InChIKey is GBRRHAHLFWYGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9(2)8-11-13(16-17-14(11)15)10-6-4-5-7-12(10)18-3/h4-7,9H,8,15H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine has a molecular weight of 262.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 79217867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).