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

C12H14N2OS — CID 82475978

IUPAC[3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCSc1ccc(-c2onc(C)c2CN)cc1
InChIInChI=1S/C12H14N2OS/c1-8-11(7-13)12(15-14-8)9-3-5-10(16-2)6-4-9/h3-6H,7,13H2,1-2H3
InChIKeyFJYQDVCWKWOQOU-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.83
Rot. Bonds3

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

[3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 82475978) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is [3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine
PubChem CID82475978
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name[3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCSc1ccc(-c2onc(C)c2CN)cc1
InChIInChI=1S/C12H14N2OS/c1-8-11(7-13)12(15-14-8)9-3-5-10(16-2)6-4-9/h3-6H,7,13H2,1-2H3
InChIKeyFJYQDVCWKWOQOU-UHFFFAOYSA-N
XLogP2.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine (CID 82475978) is [3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine is CSc1ccc(-c2onc(C)c2CN)cc1.
What is the InChIKey of [3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is FJYQDVCWKWOQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-11(7-13)12(15-14-8)9-3-5-10(16-2)6-4-9/h3-6H,7,13H2,1-2H3.
What are the key properties of [3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine?
[3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 234.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82475978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).