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

C15H13N3OS — CID 80523025

IUPAC3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESCSc1ccccc1-c1noc(N)c1-c1cccnc1
InChIInChI=1S/C15H13N3OS/c1-20-12-7-3-2-6-11(12)14-13(15(16)19-18-14)10-5-4-8-17-9-10/h2-9H,16H2,1H3
InChIKeyDFWGDRKJLDPJGU-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.71
Rot. Bonds3

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

3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine (PubChem CID 80523025) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
PubChem CID80523025
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESCSc1ccccc1-c1noc(N)c1-c1cccnc1
InChIInChI=1S/C15H13N3OS/c1-20-12-7-3-2-6-11(12)14-13(15(16)19-18-14)10-5-4-8-17-9-10/h2-9H,16H2,1H3
InChIKeyDFWGDRKJLDPJGU-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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Related Compounds

3-(2-fluoro-3-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 81477801
3-(4-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522903
3-(2,3-dimethylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523111
4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79213593
3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522997
3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523150
3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523152
3-ethyl-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523163
3-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522526
4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79217867
5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525895
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine (CID 80523025) is 3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine is CSc1ccccc1-c1noc(N)c1-c1cccnc1.
What is the InChIKey of 3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The InChIKey is DFWGDRKJLDPJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-20-12-7-3-2-6-11(12)14-13(15(16)19-18-14)10-5-4-8-17-9-10/h2-9H,16H2,1H3.
What are the key properties of 3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
3-(2-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-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80523025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).