2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine

C14H18N2OS — CID 66219608

IUPAC2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine
SMILESCc1ccc(-c2cc(CSC(C)CN)on2)cc1
InChIInChI=1S/C14H18N2OS/c1-10-3-5-12(6-4-10)14-7-13(17-16-14)9-18-11(2)8-15/h3-7,11H,8-9,15H2,1-2H3
InChIKeyZVBKKRSBWNJUMJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.23
Rot. Bonds5

About 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine

2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine (PubChem CID 66219608) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine
PubChem CID66219608
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine
SMILESCc1ccc(-c2cc(CSC(C)CN)on2)cc1
InChIInChI=1S/C14H18N2OS/c1-10-3-5-12(6-4-10)14-7-13(17-16-14)9-18-11(2)8-15/h3-7,11H,8-9,15H2,1-2H3
InChIKeyZVBKKRSBWNJUMJ-UHFFFAOYSA-N
XLogP3.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-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 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine (CID 66219608) is 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine is Cc1ccc(-c2cc(CSC(C)CN)on2)cc1.
What is the InChIKey of 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine?
The InChIKey is ZVBKKRSBWNJUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-3-5-12(6-4-10)14-7-13(17-16-14)9-18-11(2)8-15/h3-7,11H,8-9,15H2,1-2H3.
What are the key properties of 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine?
2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66219608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).