5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole

C10H9ClN2O — CID 60984935

IUPAC5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
SMILESCCc1ccc(-c2noc(Cl)n2)cc1
InChIInChI=1S/C10H9ClN2O/c1-2-7-3-5-8(6-4-7)9-12-10(11)14-13-9/h3-6H,2H2,1H3
InChIKeyKAVWALYQASBWAX-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.95
Rot. Bonds2

About 5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole

5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole (PubChem CID 60984935) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
PubChem CID60984935
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
SMILESCCc1ccc(-c2noc(Cl)n2)cc1
InChIInChI=1S/C10H9ClN2O/c1-2-7-3-5-8(6-4-7)9-12-10(11)14-13-9/h3-6H,2H2,1H3
InChIKeyKAVWALYQASBWAX-UHFFFAOYSA-N
XLogP2.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole (CID 60984935) is 5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole is CCc1ccc(-c2noc(Cl)n2)cc1.
What is the InChIKey of 5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole?
The InChIKey is KAVWALYQASBWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-2-7-3-5-8(6-4-7)9-12-10(11)14-13-9/h3-6H,2H2,1H3.
What are the key properties of 5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole?
5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole has a molecular weight of 208.65 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 60984935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).