3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole

C11H11NO3S — CID 116868966

IUPAC3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
SMILESCc1cc(-c2ccc(S(C)(=O)=O)cc2)on1
InChIInChI=1S/C11H11NO3S/c1-8-7-11(15-12-8)9-3-5-10(6-4-9)16(2,13)14/h3-7H,1-2H3
InChIKeyOSAIEAUPLTZXAI-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.05
Rot. Bonds2

About 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole

3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole (PubChem CID 116868966) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
PubChem CID116868966
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
SMILESCc1cc(-c2ccc(S(C)(=O)=O)cc2)on1
InChIInChI=1S/C11H11NO3S/c1-8-7-11(15-12-8)9-3-5-10(6-4-9)16(2,13)14/h3-7H,1-2H3
InChIKeyOSAIEAUPLTZXAI-UHFFFAOYSA-N
XLogP2.05
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20917435
4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917438
5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole
CID 116868967
5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole
CID 70025609
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
CID 20934958
5-(4-butylphenyl)-3-methyl-1,2-oxazole
CID 169499000
4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917434
N-[3-(3-methylindazol-1-yl)propyl]-5-(4-methylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 91949760
2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide
CID 71371451
methyl 4-acetylbenzoate;methyl 4-(3-methyl-1,2-oxazol-5-yl)benzoate
CID 159441639
3-(3-methyl-1,2-oxazol-5-yl)benzenesulfinate
CID 68532837
5-[4-(azepan-1-ylsulfonyl)-3-methylphenyl]-3-methyl-1,2-oxazole
CID 53094978

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole (CID 116868966) is 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole is Cc1cc(-c2ccc(S(C)(=O)=O)cc2)on1.
What is the InChIKey of 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole?
The InChIKey is OSAIEAUPLTZXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-8-7-11(15-12-8)9-3-5-10(6-4-9)16(2,13)14/h3-7H,1-2H3.
What are the key properties of 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole?
3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole has a molecular weight of 237.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole is sourced from PubChem (CID 116868966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).