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

C17H15ClN2O — CID 752282

IUPAC3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CCCc3ccccc3)n2)cc1
InChIInChI=1S/C17H15ClN2O/c18-15-11-9-14(10-12-15)17-19-16(21-20-17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2
InChIKeyBWHRFIQCSJEHGN-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.57
Rot. Bonds5

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

3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole (PubChem CID 752282) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole
PubChem CID752282
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CCCc3ccccc3)n2)cc1
InChIInChI=1S/C17H15ClN2O/c18-15-11-9-14(10-12-15)17-19-16(21-20-17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2
InChIKeyBWHRFIQCSJEHGN-UHFFFAOYSA-N
XLogP4.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole (CID 752282) is 3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(CCCc3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole?
The InChIKey is BWHRFIQCSJEHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-11-9-14(10-12-15)17-19-16(21-20-17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2.
What are the key properties of 3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole has a molecular weight of 298.77 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 752282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).