N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine

C13H16N2OS — CID 79206694

IUPACN-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccc(SC)cc2)o1
InChIInChI=1S/C13H16N2OS/c1-3-14-9-13-15-8-12(16-13)10-4-6-11(17-2)7-5-10/h4-8,14H,3,9H2,1-2H3
InChIKeyWSARNCXVIJZMKH-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.17
Rot. Bonds5

About N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine

N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 79206694) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID79206694
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccc(SC)cc2)o1
InChIInChI=1S/C13H16N2OS/c1-3-14-9-13-15-8-12(16-13)10-4-6-11(17-2)7-5-10/h4-8,14H,3,9H2,1-2H3
InChIKeyWSARNCXVIJZMKH-UHFFFAOYSA-N
XLogP3.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine 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

N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179112
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 54516373
N-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 106847348
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine;hydrochloride
CID 3049285
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179221
N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184232
N-[[5-(4-chloro-2,5-difluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 82773672
N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187113
N-[[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81488017
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107994680
N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 80538087

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 79206694) is N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2ccc(SC)cc2)o1.
What is the InChIKey of N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is WSARNCXVIJZMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-14-9-13-15-8-12(16-13)10-4-6-11(17-2)7-5-10/h4-8,14H,3,9H2,1-2H3.
What are the key properties of N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 79206694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).