2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole

C19H16N4O3S — CID 51259692

IUPAC2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(SC(C)c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C19H16N4O3S/c1-12(17-20-16(23-26-17)13-8-4-3-5-9-13)27-19-22-21-18(25-19)14-10-6-7-11-15(14)24-2/h3-12H,1-2H3
InChIKeyZNFHQARQQKYBMM-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.65
Rot. Bonds6

About 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole

2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole (PubChem CID 51259692) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole
PubChem CID51259692
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(SC(C)c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C19H16N4O3S/c1-12(17-20-16(23-26-17)13-8-4-3-5-9-13)27-19-22-21-18(25-19)14-10-6-7-11-15(14)24-2/h3-12H,1-2H3
InChIKeyZNFHQARQQKYBMM-UHFFFAOYSA-N
XLogP4.65
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-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-(2-ethoxyphenyl)-5-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 46517080
2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 31531635
2-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46516289
2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 42886296
2-[bis(4-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 112787243
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346270
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 2233558
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
2-(3,4-dimethoxyphenyl)-5-[(1R)-1-phenylethyl]sulfanyl-1,3,4-oxadiazole
CID 9362117
2-(2-methoxyphenyl)-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42988977
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
3-(2-methoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527966

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole (CID 51259692) is 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole is COc1ccccc1-c1nnc(SC(C)c2nc(-c3ccccc3)no2)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is ZNFHQARQQKYBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-12(17-20-16(23-26-17)13-8-4-3-5-9-13)27-19-22-21-18(25-19)14-10-6-7-11-15(14)24-2/h3-12H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole?
2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 380.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 51259692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).