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

C22H18N2O2S — CID 102032244

IUPAC2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(-c4ccc(SC)cc4)cc3)o2)cc1
InChIInChI=1S/C22H18N2O2S/c1-25-19-11-7-18(8-12-19)22-24-23-21(26-22)17-5-3-15(4-6-17)16-9-13-20(27-2)14-10-16/h3-14H,1-2H3
InChIKeyQJEGMUWABHHHHO-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.80
Rot. Bonds5

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

2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole (PubChem CID 102032244) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole
PubChem CID102032244
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(-c4ccc(SC)cc4)cc3)o2)cc1
InChIInChI=1S/C22H18N2O2S/c1-25-19-11-7-18(8-12-19)22-24-23-21(26-22)17-5-3-15(4-6-17)16-9-13-20(27-2)14-10-16/h3-14H,1-2H3
InChIKeyQJEGMUWABHHHHO-UHFFFAOYSA-N
XLogP5.80
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
2-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 2579534
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-methylsulfanylbenzoate
CID 18202659
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 144750250
2-[1-(4-fluorophenyl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 18201977
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25055628
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
1-methoxy-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;1-methyl-4-(4-methylsulfanylphenyl)benzene;1-(4-methylphenyl)ethanone;molecular oxygen
CID 161053566

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole (CID 102032244) is 2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc(-c4ccc(SC)cc4)cc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is QJEGMUWABHHHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-25-19-11-7-18(8-12-19)22-24-23-21(26-22)17-5-3-15(4-6-17)16-9-13-20(27-2)14-10-16/h3-14H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 374.47 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 102032244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).