3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine

C10H9ClN2O3S — CID 117434460

IUPAC3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(N)on2)cc1Cl
InChIInChI=1S/C10H9ClN2O3S/c1-17(14,15)9-3-2-6(4-7(9)11)8-5-10(12)16-13-8/h2-5H,12H2,1H3
InChIKeyQBOMHXIFPOQTIV-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.98
Rot. Bonds2

About 3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine

3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine (PubChem CID 117434460) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
PubChem CID117434460
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(N)on2)cc1Cl
InChIInChI=1S/C10H9ClN2O3S/c1-17(14,15)9-3-2-6(4-7(9)11)8-5-10(12)16-13-8/h2-5H,12H2,1H3
InChIKeyQBOMHXIFPOQTIV-UHFFFAOYSA-N
XLogP1.98
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117432033
4-(3-chloro-4-methylsulfonylphenyl)pyrimidine
CID 71282748
3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325893
3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine
CID 82487019
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
N-[3-(5-amino-1,2-oxazol-3-yl)phenyl]-N-methylmethanesulfonamide
CID 117421417
3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117424344
3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117406065
4-bromo-2-chloro-1-methylsulfonylbenzene
CID 23093061
3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
CID 117447044
3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117445201
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine (CID 117434460) is 3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine is CS(=O)(=O)c1ccc(-c2cc(N)on2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The InChIKey is QBOMHXIFPOQTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-17(14,15)9-3-2-6(4-7(9)11)8-5-10(12)16-13-8/h2-5H,12H2,1H3.
What are the key properties of 3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine has a molecular weight of 272.71 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117434460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).