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

C14H18N2OS — CID 113347391

IUPAC1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
SMILESCSc1ccc(CNC(C)c2ncc(C)o2)cc1
InChIInChI=1S/C14H18N2OS/c1-10-8-16-14(17-10)11(2)15-9-12-4-6-13(18-3)7-5-12/h4-8,11,15H,9H2,1-3H3
InChIKeyCPPIZBJIXODJHK-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.56
Rot. Bonds5

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

1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 113347391) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
PubChem CID113347391
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
SMILESCSc1ccc(CNC(C)c2ncc(C)o2)cc1
InChIInChI=1S/C14H18N2OS/c1-10-8-16-14(17-10)11(2)15-9-12-4-6-13(18-3)7-5-12/h4-8,11,15H,9H2,1-3H3
InChIKeyCPPIZBJIXODJHK-UHFFFAOYSA-N
XLogP3.56
TPSA38.06 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 97347458
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
2-[4-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenyl]propanoic acid
CID 106388931
1-(5-methyl-1,3-oxazol-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103893542
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 113350582
1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 106387875
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 113365416
N-[(3-bromo-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893585
N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104939308
3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 104881394

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine (CID 113347391) is 1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine is CSc1ccc(CNC(C)c2ncc(C)o2)cc1.
What is the InChIKey of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is CPPIZBJIXODJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-8-16-14(17-10)11(2)15-9-12-4-6-13(18-3)7-5-12/h4-8,11,15H,9H2,1-3H3.
What are the key properties of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 113347391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).