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

C17H13ClN4O — CID 151032063

IUPAC3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)c1
InChIInChI=1S/C17H13ClN4O/c18-14-3-1-2-13(10-14)16-21-17(23-22-16)12-6-4-11(5-7-12)15-19-8-9-20-15/h1-7,10H,8-9H2,(H,19,20)
InChIKeyMAGUTFURXQSFBW-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.41
Rot. Bonds3

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

3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 151032063) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
PubChem CID151032063
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)c1
InChIInChI=1S/C17H13ClN4O/c18-14-3-1-2-13(10-14)16-21-17(23-22-16)12-6-4-11(5-7-12)15-19-8-9-20-15/h1-7,10H,8-9H2,(H,19,20)
InChIKeyMAGUTFURXQSFBW-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

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

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Related Compounds

5-(2-Chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 2056784
5-(4-Chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole
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4-(3-Butyl-[1,2,4]oxadiazol-5-yl)-N-(3,3-dimethyl-butyl)-benzamide
CID 9797557
N-(3,3-Dimethyl-butyl)-4-(3-phenyl-[1,2,4]oxadiazol-5-yl)-benzamide
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3-(2-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
CID 150762943
5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 150914951
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 151566527
5-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
CID 152109514
3-(4-tert-butylphenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
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(5-Phenyl-1,2,4-oxadiazol-3-yl)methanamine
CID 6484154
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole (CID 151032063) is 3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole is Clc1cccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is MAGUTFURXQSFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-14-3-1-2-13(10-14)16-21-17(23-22-16)12-6-4-11(5-7-12)15-19-8-9-20-15/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of 3-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
3-(3-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-(3-chlorophenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 151032063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).