2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole

C17H17N3OS — CID 171392055

IUPAC2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole
SMILESCCCSc1nnc(-c2ccc(-c3ccccc3)nc2C)o1
InChIInChI=1S/C17H17N3OS/c1-3-11-22-17-20-19-16(21-17)14-9-10-15(18-12(14)2)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyUUSMXVMQHWVUAJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.61
Rot. Bonds5

About 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole

2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole (PubChem CID 171392055) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole
PubChem CID171392055
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole
SMILESCCCSc1nnc(-c2ccc(-c3ccccc3)nc2C)o1
InChIInChI=1S/C17H17N3OS/c1-3-11-22-17-20-19-16(21-17)14-9-10-15(18-12(14)2)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyUUSMXVMQHWVUAJ-UHFFFAOYSA-N
XLogP4.61
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-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-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 54590696
2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 157222447
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 47096897
2-(3-methylphenyl)-5-(2-phenylethylsulfanyl)-1,3,4-oxadiazole
CID 858898
ethyl 2-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 4215757
2-[2-(4-methylphenoxy)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 23613653
2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 35766151
2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 166005373
1-(4-ethoxyphenoxy)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51223037
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879334
2-(2-methylfuran-3-yl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 16611496

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole (CID 171392055) is 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole is CCCSc1nnc(-c2ccc(-c3ccccc3)nc2C)o1.
What is the InChIKey of 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole?
The InChIKey is UUSMXVMQHWVUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-11-22-17-20-19-16(21-17)14-9-10-15(18-12(14)2)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole?
2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole has a molecular weight of 311.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-phenyl-3-pyridinyl)-5-propylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 171392055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).