5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole

C11H11NO3S — CID 10889944

IUPAC5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2ncoc2C)cc1
InChIInChI=1S/C11H11NO3S/c1-8-3-5-10(6-4-8)16(13,14)11-9(2)15-7-12-11/h3-7H,1-2H3
InChIKeyCLMIQFZKPHEIOO-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.12
Rot. Bonds2

About 5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole

5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole (PubChem CID 10889944) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole
PubChem CID10889944
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2ncoc2C)cc1
InChIInChI=1S/C11H11NO3S/c1-8-3-5-10(6-4-8)16(13,14)11-9(2)15-7-12-11/h3-7H,1-2H3
InChIKeyCLMIQFZKPHEIOO-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol
CID 166447316
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 134820719
(5-methyl-1,3-oxazol-4-yl)methyl 4-methylbenzenesulfonate
CID 170902191
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 7424870

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The IUPAC name of 5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole (CID 10889944) is 5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole is Cc1ccc(S(=O)(=O)c2ncoc2C)cc1.
What is the InChIKey of 5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The InChIKey is CLMIQFZKPHEIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-8-3-5-10(6-4-8)16(13,14)11-9(2)15-7-12-11/h3-7H,1-2H3.
What are the key properties of 5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole has a molecular weight of 237.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole is sourced from PubChem (CID 10889944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).