2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile

C11H8ClN3OS — CID 51184819

IUPAC2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile
SMILESCC(C#N)Sc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C11H8ClN3OS/c1-7(6-13)17-11-15-14-10(16-11)8-3-2-4-9(12)5-8/h2-5,7H,1H3
InChIKeyBDGJZUJXGYQQAS-UHFFFAOYSA-N
MW265.73 g/mol
LogP3.39
Rot. Bonds3

About 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile (PubChem CID 51184819) has the molecular formula C11H8ClN3OS and a molecular weight of 265.73 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile
PubChem CID51184819
Molecular FormulaC11H8ClN3OS
Molecular Weight265.73 g/mol
Exact Mass265.01
IUPAC Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile
SMILESCC(C#N)Sc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C11H8ClN3OS/c1-7(6-13)17-11-15-14-10(16-11)8-3-2-4-9(12)5-8/h2-5,7H,1H3
InChIKeyBDGJZUJXGYQQAS-UHFFFAOYSA-N
XLogP3.39
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7661147
(2R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7534059
2-(3-chlorophenyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 9382570
3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile
CID 7533885
2-(3-chlorophenyl)-5-(ethoxymethylsulfanyl)-1,3,4-oxadiazole
CID 100686773
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 9382607
2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
CID 8644330
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9382662
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 39357852
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 9382630
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)propanamide
CID 9382584
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 78582997

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile (CID 51184819) is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile is CC(C#N)Sc1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile?
The InChIKey is BDGJZUJXGYQQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3OS/c1-7(6-13)17-11-15-14-10(16-11)8-3-2-4-9(12)5-8/h2-5,7H,1H3.
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile?
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile has a molecular weight of 265.73 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile is sourced from PubChem (CID 51184819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).