3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole

C11H13NO4S — CID 10999644

IUPAC3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NOC(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C11H13NO4S/c1-15-9-5-3-8(4-6-9)10-7-11(16-12-10)17(2,13)14/h3-6,11H,7H2,1-2H3
InChIKeySPNGBVJLFZUFFF-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.19
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole

3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole (PubChem CID 10999644) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole
PubChem CID10999644
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NOC(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C11H13NO4S/c1-15-9-5-3-8(4-6-9)10-7-11(16-12-10)17(2,13)14/h3-6,11H,7H2,1-2H3
InChIKeySPNGBVJLFZUFFF-UHFFFAOYSA-N
XLogP1.19
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole (CID 10999644) is 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole is COc1ccc(C2=NOC(S(C)(=O)=O)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole?
The InChIKey is SPNGBVJLFZUFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-15-9-5-3-8(4-6-9)10-7-11(16-12-10)17(2,13)14/h3-6,11H,7H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole?
3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole has a molecular weight of 255.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methylsulfonyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10999644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).