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

C10H9NO3S — CID 12882620

IUPAC4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2cocn2)cc1
InChIInChI=1S/C10H9NO3S/c1-8-2-4-9(5-3-8)15(12,13)10-6-14-7-11-10/h2-7H,1H3
InChIKeyRJPSIDVBXDDUNS-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.82
Rot. Bonds2

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

4-(4-methylphenyl)sulfonyl-1,3-oxazole (PubChem CID 12882620) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-1,3-oxazole
PubChem CID12882620
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2cocn2)cc1
InChIInChI=1S/C10H9NO3S/c1-8-2-4-9(5-3-8)15(12,13)10-6-14-7-11-10/h2-7H,1H3
InChIKeyRJPSIDVBXDDUNS-UHFFFAOYSA-N
XLogP1.82
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-4-[(4-methylphenyl)sulfonyl]-1,3-oxazole
CID 10889944
2-(Benzenesulfonyl)-1,3-oxazole
CID 45103360
4-Benzylsulfanyl-1,3-oxazole
CID 129770489
2-[(2,6-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022707
2-[(2,5-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022731
Tosyl-1,3-oxazol-2-carbaldehyde
CID 129764799
5-Ethoxy-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 134856640
5-(2,2-Dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 138969295
4-[4-(4-Methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
CID 2147168
2-(4-Methylphenyl)sulfanyl-1,3-oxazole
CID 18712778
2-Benzylsulfinyl-1,3-oxazole
CID 67022513
2-Benzylsulfonyl-1,3-oxazole
CID 67022788

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-1,3-oxazole (CID 12882620) is 4-(4-methylphenyl)sulfonyl-1,3-oxazole.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-1,3-oxazole is Cc1ccc(S(=O)(=O)c2cocn2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The InChIKey is RJPSIDVBXDDUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-8-2-4-9(5-3-8)15(12,13)10-6-14-7-11-10/h2-7H,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-1,3-oxazole?
4-(4-methylphenyl)sulfonyl-1,3-oxazole has a molecular weight of 223.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-1,3-oxazole is sourced from PubChem (CID 12882620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).