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

C15H13N3OS — CID 80525895

IUPAC5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESCSc1ccccc1-c1onc(N)c1-c1ccncc1
InChIInChI=1S/C15H13N3OS/c1-20-12-5-3-2-4-11(12)14-13(15(16)18-19-14)10-6-8-17-9-7-10/h2-9H,1H3,(H2,16,18)
InChIKeyULESQFAFMSFSQQ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.71
Rot. Bonds3

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

5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine (PubChem CID 80525895) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
PubChem CID80525895
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESCSc1ccccc1-c1onc(N)c1-c1ccncc1
InChIInChI=1S/C15H13N3OS/c1-20-12-5-3-2-4-11(12)14-13(15(16)18-19-14)10-6-8-17-9-7-10/h2-9H,1H3,(H2,16,18)
InChIKeyULESQFAFMSFSQQ-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

5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525852
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813
5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954873
3-(2-methylsulfanylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523025
5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one
CID 136812972
3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
CID 136812973
5-(4-bromo-2-methoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 115370350
5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525497
5-(2-methoxy-3-pyridinyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199868
5-(3-bromo-5-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80524785
5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525756

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine (CID 80525895) is 5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine is CSc1ccccc1-c1onc(N)c1-c1ccncc1.
What is the InChIKey of 5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The InChIKey is ULESQFAFMSFSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-20-12-5-3-2-4-11(12)14-13(15(16)18-19-14)10-6-8-17-9-7-10/h2-9H,1H3,(H2,16,18).
What are the key properties of 5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-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 5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80525895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).