3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole

C17H13ClN4O — CID 150762943

IUPAC3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(-c2ccc(C3=NCCN3)cc2)n1
InChIInChI=1S/C17H13ClN4O/c18-14-4-2-1-3-13(14)16-21-17(23-22-16)12-7-5-11(6-8-12)15-19-9-10-20-15/h1-8H,9-10H2,(H,19,20)
InChIKeyJYFJFVCGKLVUMQ-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.41
Rot. Bonds3

About 3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole

3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 150762943) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
PubChem CID150762943
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(-c2ccc(C3=NCCN3)cc2)n1
InChIInChI=1S/C17H13ClN4O/c18-14-4-2-1-3-13(14)16-21-17(23-22-16)12-7-5-11(6-8-12)15-19-9-10-20-15/h1-8H,9-10H2,(H,19,20)
InChIKeyJYFJFVCGKLVUMQ-UHFFFAOYSA-N
XLogP3.41
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole (CID 150762943) is 3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole is Clc1ccccc1-c1noc(-c2ccc(C3=NCCN3)cc2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is JYFJFVCGKLVUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-14-4-2-1-3-13(14)16-21-17(23-22-16)12-7-5-11(6-8-12)15-19-9-10-20-15/h1-8H,9-10H2,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 324.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 150762943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).