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

C17H15ClN2O — CID 67612049

IUPAC2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc(CCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H15ClN2O/c18-15-11-9-13(10-12-15)5-4-8-16-19-20-17(21-16)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2
InChIKeyLJAVIHRZHAOANV-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.57
Rot. Bonds5

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

2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 67612049) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID67612049
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc(CCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H15ClN2O/c18-15-11-9-13(10-12-15)5-4-8-16-19-20-17(21-16)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2
InChIKeyLJAVIHRZHAOANV-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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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 17423614
1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320476
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 110653706
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 42632514
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653804
6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
CID 24949380

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole (CID 67612049) is 2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole is Clc1ccc(CCCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is LJAVIHRZHAOANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-11-9-13(10-12-15)5-4-8-16-19-20-17(21-16)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2.
What are the key properties of 2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole?
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-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 2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 67612049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).