3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride

C19H24ClN7O2 — CID 120960998

IUPAC3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride
SMILESCN1CCNCC1c1noc(-c2cccc(NC(=O)CCn3ccnc3)c2)n1.Cl
InChIInChI=1S/C19H23N7O2.ClH/c1-25-9-6-20-12-16(25)18-23-19(28-24-18)14-3-2-4-15(11-14)22-17(27)5-8-26-10-7-21-13-26;/h2-4,7,10-11,13,16,20H,5-6,8-9,12H2,1H3,(H,22,27);1H
InChIKeyDGXDLJWRKLMCGD-UHFFFAOYSA-N
MW417.90 g/mol
LogP1.96
Rot. Bonds6

About 3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride

3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride (PubChem CID 120960998) has the molecular formula C19H24ClN7O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride
PubChem CID120960998
Molecular FormulaC19H24ClN7O2
Molecular Weight417.90 g/mol
Exact Mass417.17
IUPAC Name3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride
SMILESCN1CCNCC1c1noc(-c2cccc(NC(=O)CCn3ccnc3)c2)n1.Cl
InChIInChI=1S/C19H23N7O2.ClH/c1-25-9-6-20-12-16(25)18-23-19(28-24-18)14-3-2-4-15(11-14)22-17(27)5-8-26-10-7-21-13-26;/h2-4,7,10-11,13,16,20H,5-6,8-9,12H2,1H3,(H,22,27);1H
InChIKeyDGXDLJWRKLMCGD-UHFFFAOYSA-N
XLogP1.96
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride
CID 120957411
1,1-dimethyl-3-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea
CID 120958743
5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957776
N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120956116
3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119555811
N-ethyl-N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120960889
N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide
CID 120955970
3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391382
N-[2-fluoro-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methylbutanamide
CID 120961469
N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 120960028
3-(1-methylpiperazin-2-yl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120960011
2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride
CID 120960370

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride?
The IUPAC name of 3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride (CID 120960998) is 3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride is CN1CCNCC1c1noc(-c2cccc(NC(=O)CCn3ccnc3)c2)n1.Cl.
What is the InChIKey of 3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride?
The InChIKey is DGXDLJWRKLMCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2.ClH/c1-25-9-6-20-12-16(25)18-23-19(28-24-18)14-3-2-4-15(11-14)22-17(27)5-8-26-10-7-21-13-26;/h2-4,7,10-11,13,16,20H,5-6,8-9,12H2,1H3,(H,22,27);1H.
What are the key properties of 3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride?
3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride has a molecular weight of 417.90 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120960998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).