5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole

C11H11NO3S — CID 21435665

IUPAC5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole
SMILESCc1oc(S(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C11H11NO3S/c1-8-10(9-6-4-3-5-7-9)12-11(15-8)16(2,13)14/h3-7H,1-2H3
InChIKeySSNBHNJREXQPMG-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.05
Rot. Bonds2

About 5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole

5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole (PubChem CID 21435665) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole
PubChem CID21435665
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole
SMILESCc1oc(S(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C11H11NO3S/c1-8-10(9-6-4-3-5-7-9)12-11(15-8)16(2,13)14/h3-7H,1-2H3
InChIKeySSNBHNJREXQPMG-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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole (CID 21435665) is 5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole is Cc1oc(S(C)(=O)=O)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole?
The InChIKey is SSNBHNJREXQPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-8-10(9-6-4-3-5-7-9)12-11(15-8)16(2,13)14/h3-7H,1-2H3.
What are the key properties of 5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole?
5-methyl-2-methylsulfonyl-4-phenyl-1,3-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 5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole is sourced from PubChem (CID 21435665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).