1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

C12H14N2OS — CID 104665246

IUPAC1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCSc1ccc(CNCc2ccno2)cc1
InChIInChI=1S/C12H14N2OS/c1-16-12-4-2-10(3-5-12)8-13-9-11-6-7-14-15-11/h2-7,13H,8-9H2,1H3
InChIKeyWCQIFOSODGLQIN-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.69
Rot. Bonds5

About 1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 104665246) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID104665246
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCSc1ccc(CNCc2ccno2)cc1
InChIInChI=1S/C12H14N2OS/c1-16-12-4-2-10(3-5-12)8-13-9-11-6-7-14-15-11/h2-7,13H,8-9H2,1H3
InChIKeyWCQIFOSODGLQIN-UHFFFAOYSA-N
XLogP2.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185896
1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415514
2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415418
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641
1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415106
N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 23006271
1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185996
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415122
1-[4-(ethylaminomethyl)phenyl]-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 106423853

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 104665246) is 1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is CSc1ccc(CNCc2ccno2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is WCQIFOSODGLQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-16-12-4-2-10(3-5-12)8-13-9-11-6-7-14-15-11/h2-7,13H,8-9H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 234.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 104665246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).