5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole

C16H14N2O4S — CID 30849057

IUPAC5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H14N2O4S/c1-21-13-7-9-14(10-8-13)23(19,20)11-15-17-16(18-22-15)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyWRHZNVLOKYMUQP-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.72
Rot. Bonds5

About 5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole

5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 30849057) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID30849057
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H14N2O4S/c1-21-13-7-9-14(10-8-13)23(19,20)11-15-17-16(18-22-15)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyWRHZNVLOKYMUQP-UHFFFAOYSA-N
XLogP2.72
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole (CID 30849057) is 5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole is COc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is WRHZNVLOKYMUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-21-13-7-9-14(10-8-13)23(19,20)11-15-17-16(18-22-15)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole?
5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 330.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfonylmethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 30849057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).