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

C15H13N3OS — CID 80522903

IUPAC3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESCSc1ccc(-c2noc(N)c2-c2cccnc2)cc1
InChIInChI=1S/C15H13N3OS/c1-20-12-6-4-10(5-7-12)14-13(15(16)19-18-14)11-3-2-8-17-9-11/h2-9H,16H2,1H3
InChIKeyRDGCBUPJKNGFHH-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.71
Rot. Bonds3

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

3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine (PubChem CID 80522903) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
PubChem CID80522903
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESCSc1ccc(-c2noc(N)c2-c2cccnc2)cc1
InChIInChI=1S/C15H13N3OS/c1-20-12-6-4-10(5-7-12)14-13(15(16)19-18-14)11-3-2-8-17-9-11/h2-9H,16H2,1H3
InChIKeyRDGCBUPJKNGFHH-UHFFFAOYSA-N
XLogP3.71
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine (CID 80522903) is 3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine is CSc1ccc(-c2noc(N)c2-c2cccnc2)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The InChIKey is RDGCBUPJKNGFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-20-12-6-4-10(5-7-12)14-13(15(16)19-18-14)11-3-2-8-17-9-11/h2-9H,16H2,1H3.
What are the key properties of 3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine has a molecular weight of 283.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80522903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).