3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride

C18H25ClN4O2 — CID 120958632

IUPAC3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(C2CCCOC2c2ccccc2)n1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-22-10-9-19-12-15(22)17-20-18(24-21-17)14-8-5-11-23-16(14)13-6-3-2-4-7-13;/h2-4,6-7,14-16,19H,5,8-12H2,1H3;1H
InChIKeyLHPZGWYFXKQZOZ-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.70
Rot. Bonds3

About 3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride

3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120958632) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120958632
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(C2CCCOC2c2ccccc2)n1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-22-10-9-19-12-15(22)17-20-18(24-21-17)14-8-5-11-23-16(14)13-6-3-2-4-7-13;/h2-4,6-7,14-16,19H,5,8-12H2,1H3;1H
InChIKeyLHPZGWYFXKQZOZ-UHFFFAOYSA-N
XLogP2.70
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 120958246
5-[2-(3,4-difluorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960808
5-[2-(3,5-dichlorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956221
[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120957901
3-(1-methylpiperazin-2-yl)-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957013
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 120956441
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 120957246
5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958136
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861
3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 120958493
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957247
5-(2-methyl-1-phenylpropan-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961522

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 120958632) is 3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride is CN1CCNCC1c1noc(C2CCCOC2c2ccccc2)n1.Cl.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is LHPZGWYFXKQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-22-10-9-19-12-15(22)17-20-18(24-21-17)14-8-5-11-23-16(14)13-6-3-2-4-7-13;/h2-4,6-7,14-16,19H,5,8-12H2,1H3;1H.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride?
3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120958632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).