3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine

C11H12N2OS — CID 117314495

IUPAC3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
SMILESCSc1cc(-c2cc(N)on2)ccc1C
InChIInChI=1S/C11H12N2OS/c1-7-3-4-8(5-10(7)15-2)9-6-11(12)14-13-9/h3-6H,12H2,1-2H3
InChIKeyZSRXNPKGXDPEAN-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.95
Rot. Bonds2

About 3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine

3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine (PubChem CID 117314495) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
PubChem CID117314495
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
SMILESCSc1cc(-c2cc(N)on2)ccc1C
InChIInChI=1S/C11H12N2OS/c1-7-3-4-8(5-10(7)15-2)9-6-11(12)14-13-9/h3-6H,12H2,1-2H3
InChIKeyZSRXNPKGXDPEAN-UHFFFAOYSA-N
XLogP2.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-methyl-3-methylsulfanylphenyl)pyrazol-5-amine
CID 117338985
3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine
CID 115112364
3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117323198
3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476360
3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine
CID 117373692
3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117305294
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine
CID 117357277
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325881

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine (CID 117314495) is 3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine is CSc1cc(-c2cc(N)on2)ccc1C.
What is the InChIKey of 3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The InChIKey is ZSRXNPKGXDPEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-3-4-8(5-10(7)15-2)9-6-11(12)14-13-9/h3-6H,12H2,1-2H3.
What are the key properties of 3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine?
3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine has a molecular weight of 220.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117314495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).