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

C11H12N2O3S — CID 117383874

IUPAC4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
SMILESCS(=O)(=O)Cc1ccc(-c2cnoc2N)cc1
InChIInChI=1S/C11H12N2O3S/c1-17(14,15)7-8-2-4-9(5-3-8)10-6-13-16-11(10)12/h2-6H,7,12H2,1H3
InChIKeyYAOPZUAYOXBXPC-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.47
Rot. Bonds3

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

4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117383874) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117383874
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
SMILESCS(=O)(=O)Cc1ccc(-c2cnoc2N)cc1
InChIInChI=1S/C11H12N2O3S/c1-17(14,15)7-8-2-4-9(5-3-8)10-6-13-16-11(10)12/h2-6H,7,12H2,1H3
InChIKeyYAOPZUAYOXBXPC-UHFFFAOYSA-N
XLogP1.47
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene
CID 166231145
4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117336523
4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
CID 117310978
4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117354707
4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione
CID 117461676
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol
CID 117388686
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117393713
2-[4-(methylsulfonylmethyl)phenyl]ethanol
CID 117305726
1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one
CID 117457742
4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434464
4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117480762

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine (CID 117383874) is 4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine is CS(=O)(=O)Cc1ccc(-c2cnoc2N)cc1.
What is the InChIKey of 4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is YAOPZUAYOXBXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-17(14,15)7-8-2-4-9(5-3-8)10-6-13-16-11(10)12/h2-6H,7,12H2,1H3.
What are the key properties of 4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine?
4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 252.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117383874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).