[2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol

C17H15NO4S — CID 166447316

IUPAC[2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol
SMILESCc1ccc(S(=O)(=O)c2ncoc2-c2ccccc2CO)cc1
InChIInChI=1S/C17H15NO4S/c1-12-6-8-14(9-7-12)23(20,21)17-16(22-11-18-17)15-5-3-2-4-13(15)10-19/h2-9,11,19H,10H2,1H3
InChIKeyPQKYNFLBEGXQEC-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.98
Rot. Bonds4

About [2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol

[2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol (PubChem CID 166447316) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is [2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol
PubChem CID166447316
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name[2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol
SMILESCc1ccc(S(=O)(=O)c2ncoc2-c2ccccc2CO)cc1
InChIInChI=1S/C17H15NO4S/c1-12-6-8-14(9-7-12)23(20,21)17-16(22-11-18-17)15-5-3-2-4-13(15)10-19/h2-9,11,19H,10H2,1H3
InChIKeyPQKYNFLBEGXQEC-UHFFFAOYSA-N
XLogP2.98
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 10889944
5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 134820719
[2-(5-methyl-1,3-oxazol-4-yl)phenyl]methanol
CID 105443456
[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol
CID 79145795
2-(4-methylphenyl)sulfonylphenol
CID 10879464
2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826552
2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene
CID 102599504
2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene
CID 102599502
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol?
The IUPAC name of [2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol (CID 166447316) is [2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol?
The canonical SMILES for [2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol is Cc1ccc(S(=O)(=O)c2ncoc2-c2ccccc2CO)cc1.
What is the InChIKey of [2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol?
The InChIKey is PQKYNFLBEGXQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-12-6-8-14(9-7-12)23(20,21)17-16(22-11-18-17)15-5-3-2-4-13(15)10-19/h2-9,11,19H,10H2,1H3.
What are the key properties of [2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol?
[2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol has a molecular weight of 329.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]phenyl]methanol is sourced from PubChem (CID 166447316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).