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

C17H16N2OS — CID 79212754

IUPAC4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine
SMILESCSc1ccc(-c2onc(N)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2OS/c1-11-3-5-12(6-4-11)15-16(20-19-17(15)18)13-7-9-14(21-2)10-8-13/h3-10H,1-2H3,(H2,18,19)
InChIKeyGYCPQOSQIZIEKX-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.62
Rot. Bonds3

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

4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine (PubChem CID 79212754) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine
PubChem CID79212754
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine
SMILESCSc1ccc(-c2onc(N)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2OS/c1-11-3-5-12(6-4-11)15-16(20-19-17(15)18)13-7-9-14(21-2)10-8-13/h3-10H,1-2H3,(H2,18,19)
InChIKeyGYCPQOSQIZIEKX-UHFFFAOYSA-N
XLogP4.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine (CID 79212754) is 4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine is CSc1ccc(-c2onc(N)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine?
The InChIKey is GYCPQOSQIZIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11-3-5-12(6-4-11)15-16(20-19-17(15)18)13-7-9-14(21-2)10-8-13/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine?
4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine has a molecular weight of 296.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79212754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).