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

C17H15NO4S — CID 134820719

IUPAC5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCOc1cccc(-c2ocnc2S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H15NO4S/c1-12-6-8-15(9-7-12)23(19,20)17-16(22-11-18-17)13-4-3-5-14(10-13)21-2/h3-11H,1-2H3
InChIKeyRFDPDTDZOIRSJX-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.49
Rot. Bonds4

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

5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole (PubChem CID 134820719) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
PubChem CID134820719
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCOc1cccc(-c2ocnc2S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H15NO4S/c1-12-6-8-15(9-7-12)23(19,20)17-16(22-11-18-17)13-4-3-5-14(10-13)21-2/h3-11H,1-2H3
InChIKeyRFDPDTDZOIRSJX-UHFFFAOYSA-N
XLogP3.49
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The IUPAC name of 5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole (CID 134820719) is 5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The canonical SMILES for 5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole is COc1cccc(-c2ocnc2S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The InChIKey is RFDPDTDZOIRSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-12-6-8-15(9-7-12)23(19,20)17-16(22-11-18-17)13-4-3-5-14(10-13)21-2/h3-11H,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole has a molecular weight of 329.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole is sourced from PubChem (CID 134820719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).