2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole

C19H18N2O3S — CID 39818535

IUPAC2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole
SMILESCc1ccc(/C=C(/c2nnc(C)o2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-13-4-8-16(9-5-13)12-18(19-21-20-15(3)24-19)25(22,23)17-10-6-14(2)7-11-17/h4-12H,1-3H3/b18-12-
InChIKeyYVOQANMZXNRCSQ-PDGQHHTCSA-N
MW354.43 g/mol
LogP3.97
Rot. Bonds4

About 2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole

2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole (PubChem CID 39818535) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole
PubChem CID39818535
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole
SMILESCc1ccc(/C=C(/c2nnc(C)o2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-13-4-8-16(9-5-13)12-18(19-21-20-15(3)24-19)25(22,23)17-10-6-14(2)7-11-17/h4-12H,1-3H3/b18-12-
InChIKeyYVOQANMZXNRCSQ-PDGQHHTCSA-N
XLogP3.97
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole (CID 39818535) is 2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole is Cc1ccc(/C=C(/c2nnc(C)o2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole?
The InChIKey is YVOQANMZXNRCSQ-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-4-8-16(9-5-13)12-18(19-21-20-15(3)24-19)25(22,23)17-10-6-14(2)7-11-17/h4-12H,1-3H3/b18-12-.
What are the key properties of 2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole?
2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole has a molecular weight of 354.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(Z)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 39818535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).