5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole

C12H18Cl2N4O — CID 126810966

IUPAC5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CN(CC3CC3(Cl)Cl)CCN2C)n1
InChIInChI=1S/C12H18Cl2N4O/c1-8-15-11(19-16-8)10-7-18(4-3-17(10)2)6-9-5-12(9,13)14/h9-10H,3-7H2,1-2H3
InChIKeyNSKVGRUHYDYLMM-UHFFFAOYSA-N
MW305.21 g/mol
LogP1.86
Rot. Bonds3

About 5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 126810966) has the molecular formula C12H18Cl2N4O and a molecular weight of 305.21 g/mol. Its IUPAC name is 5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID126810966
Molecular FormulaC12H18Cl2N4O
Molecular Weight305.21 g/mol
Exact Mass304.09
IUPAC Name5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CN(CC3CC3(Cl)Cl)CCN2C)n1
InChIInChI=1S/C12H18Cl2N4O/c1-8-15-11(19-16-8)10-7-18(4-3-17(10)2)6-9-5-12(9,13)14/h9-10H,3-7H2,1-2H3
InChIKeyNSKVGRUHYDYLMM-UHFFFAOYSA-N
XLogP1.86
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-[1-methyl-4-(oxepan-4-ylmethyl)piperazin-2-yl]-1,2,4-oxadiazole
CID 126831065
[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
CID 128980571
5-[(2S)-4-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485896
3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129486090
5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129009267
5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129484536
5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485828
5-[(2S)-4-[2-(2-chlorophenoxy)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129351338
tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate
CID 154764667
5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 90327701
4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 137213877
3-[[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]benzamide
CID 129346925

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 126810966) is 5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CN(CC3CC3(Cl)Cl)CCN2C)n1.
What is the InChIKey of 5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is NSKVGRUHYDYLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4O/c1-8-15-11(19-16-8)10-7-18(4-3-17(10)2)6-9-5-12(9,13)14/h9-10H,3-7H2,1-2H3.
What are the key properties of 5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 305.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126810966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).