5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C16H18N6O — CID 120957776

IUPAC5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2cccc(-n3ccnc3)c2)n1
InChIInChI=1S/C16H18N6O/c1-21-7-5-17-10-14(21)15-19-16(23-20-15)12-3-2-4-13(9-12)22-8-6-18-11-22/h2-4,6,8-9,11,14,17H,5,7,10H2,1H3
InChIKeyMWMFRQIVWJSEID-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.50
Rot. Bonds3

About 5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120957776) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120957776
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2cccc(-n3ccnc3)c2)n1
InChIInChI=1S/C16H18N6O/c1-21-7-5-17-10-14(21)15-19-16(23-20-15)12-3-2-4-13(9-12)22-8-6-18-11-22/h2-4,6,8-9,11,14,17H,5,7,10H2,1H3
InChIKeyMWMFRQIVWJSEID-UHFFFAOYSA-N
XLogP1.50
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120957809
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 120960456
3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride
CID 120960998
N-ethyl-N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120960889
3-(1-methylpiperazin-2-yl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120960011
N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120956116
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
1,1-dimethyl-3-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea
CID 120958743
3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole
CID 120956694
3-(1-methylpiperazin-2-yl)-5-[3-(1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120961460
3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353

Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120957776) is 5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(-c2cccc(-n3ccnc3)c2)n1.
What is the InChIKey of 5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is MWMFRQIVWJSEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-21-7-5-17-10-14(21)15-19-16(23-20-15)12-3-2-4-13(9-12)22-8-6-18-11-22/h2-4,6,8-9,11,14,17H,5,7,10H2,1H3.
What are the key properties of 5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 310.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120957776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).