4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine

C11H12N2OS2 — CID 117384436

IUPAC4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine
SMILESCSc1ccc(-c2cnoc2N)c(SC)c1
InChIInChI=1S/C11H12N2OS2/c1-15-7-3-4-8(10(5-7)16-2)9-6-13-14-11(9)12/h3-6H,12H2,1-2H3
InChIKeyFSQRKZGRJWPZNL-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.37
Rot. Bonds3

About 4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine

4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117384436) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117384436
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine
SMILESCSc1ccc(-c2cnoc2N)c(SC)c1
InChIInChI=1S/C11H12N2OS2/c1-15-7-3-4-8(10(5-7)16-2)9-6-13-14-11(9)12/h3-6H,12H2,1-2H3
InChIKeyFSQRKZGRJWPZNL-UHFFFAOYSA-N
XLogP3.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314028
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol
CID 117318069
4-(2,4-dimethoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117410390
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117393713
3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol
CID 117294489
4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314027
4-(2,3-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299828
3-(5-amino-1,2-oxazol-4-yl)-2,6-dimethylphenol
CID 117292468
4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol
CID 117299784
4-(2-bromo-3,4-difluorophenyl)-1,2-oxazol-5-amine
CID 117439381

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine (CID 117384436) is 4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine is CSc1ccc(-c2cnoc2N)c(SC)c1.
What is the InChIKey of 4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is FSQRKZGRJWPZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-15-7-3-4-8(10(5-7)16-2)9-6-13-14-11(9)12/h3-6H,12H2,1-2H3.
What are the key properties of 4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine?
4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 252.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117384436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).