5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole

C11H11ClN2O — CID 869984

IUPAC5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C11H11ClN2O/c1-2-5-10-13-11(15-14-10)8-6-3-4-7-9(8)12/h3-4,6-7H,2,5H2,1H3
InChIKeyDDAQDJRWEZDDBS-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.34
Rot. Bonds3

About 5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole

5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole (PubChem CID 869984) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
PubChem CID869984
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C11H11ClN2O/c1-2-5-10-13-11(15-14-10)8-6-3-4-7-9(8)12/h3-4,6-7H,2,5H2,1H3
InChIKeyDDAQDJRWEZDDBS-UHFFFAOYSA-N
XLogP3.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367
5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole
CID 30029760
3-chloro-4-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 61398974
N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 43670382
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]propanoic acid
CID 61011299
5-(2-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 874813
5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24661609
3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
CID 135981687
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43248934
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 106672141
3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 112571662

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole (CID 869984) is 5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole is CCCc1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole?
The InChIKey is DDAQDJRWEZDDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-5-10-13-11(15-14-10)8-6-3-4-7-9(8)12/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole has a molecular weight of 222.68 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 869984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).