2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole

C16H14N6O2S — CID 41353480

IUPAC2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@@H](C)Sc3nc4ncccn4n3)o2)cc1
InChIInChI=1S/C16H14N6O2S/c1-10(25-16-18-15-17-8-3-9-22(15)21-16)13-19-20-14(24-13)11-4-6-12(23-2)7-5-11/h3-10H,1-2H3/t10-/m1/s1
InChIKeyCPAZDZSYBUZBML-SNVBAGLBSA-N
MW354.40 g/mol
LogP3.04
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole (PubChem CID 41353480) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole
PubChem CID41353480
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Name2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@@H](C)Sc3nc4ncccn4n3)o2)cc1
InChIInChI=1S/C16H14N6O2S/c1-10(25-16-18-15-17-8-3-9-22(15)21-16)13-19-20-14(24-13)11-4-6-12(23-2)7-5-11/h3-10H,1-2H3/t10-/m1/s1
InChIKeyCPAZDZSYBUZBML-SNVBAGLBSA-N
XLogP3.04
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-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-(4-methoxyphenyl)-5-[1-(1-methylimidazol-2-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 18201150
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 9231117
2-[1-(4-fluorophenyl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 18201977
2-[1-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43037199
2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24579650
5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 9199584
2-(4-methoxyphenyl)-5-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 43037201
2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
CID 8644330
2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24623096
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 38843324

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole (CID 41353480) is 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc([C@@H](C)Sc3nc4ncccn4n3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole?
The InChIKey is CPAZDZSYBUZBML-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-10(25-16-18-15-17-8-3-9-22(15)21-16)13-19-20-14(24-13)11-4-6-12(23-2)7-5-11/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole has a molecular weight of 354.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 41353480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).