2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C23H22N4O2S — CID 24623096

IUPAC2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C(C)Sc3ncc(-c4ccccc4)n3C3CC3)o2)cc1
InChIInChI=1S/C23H22N4O2S/c1-15(21-25-26-22(29-21)17-8-12-19(28-2)13-9-17)30-23-24-14-20(27(23)18-10-11-18)16-6-4-3-5-7-16/h3-9,12-15,18H,10-11H2,1-2H3
InChIKeySDYGJIKXSGOFNM-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.80
Rot. Bonds7

About 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 24623096) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID24623096
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C(C)Sc3ncc(-c4ccccc4)n3C3CC3)o2)cc1
InChIInChI=1S/C23H22N4O2S/c1-15(21-25-26-22(29-21)17-8-12-19(28-2)13-9-17)30-23-24-14-20(27(23)18-10-11-18)16-6-4-3-5-7-16/h3-9,12-15,18H,10-11H2,1-2H3
InChIKeySDYGJIKXSGOFNM-UHFFFAOYSA-N
XLogP5.80
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 30293162
2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8631512
2-[(1R)-1-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 30036829
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
2-(4-methoxyphenyl)-5-[1-(1-methylimidazol-2-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 18201150
2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 9231117
2-[(1S)-1-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7629997
2-(4-methoxyphenyl)-5-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)ethyl]-1,3,4-oxadiazole
CID 41319912
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
2-[(1R)-1-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7662644
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-[1-(4-fluorophenyl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 18201977

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 24623096) is 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(C(C)Sc3ncc(-c4ccccc4)n3C3CC3)o2)cc1.
What is the InChIKey of 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is SDYGJIKXSGOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-15(21-25-26-22(29-21)17-8-12-19(28-2)13-9-17)30-23-24-14-20(27(23)18-10-11-18)16-6-4-3-5-7-16/h3-9,12-15,18H,10-11H2,1-2H3.
What are the key properties of 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 418.52 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24623096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).