5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole

C19H19Cl2N5O — CID 133321434

IUPAC5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCN(Cc3cccc(Cl)c3Cl)CC2)n1
InChIInChI=1S/C19H19Cl2N5O/c1-13-23-19(27-24-13)15-5-3-7-22-18(15)26-10-8-25(9-11-26)12-14-4-2-6-16(20)17(14)21/h2-7H,8-12H2,1H3
InChIKeyCOOLWWDJJTVATD-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.07
Rot. Bonds4

About 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole

5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 133321434) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
PubChem CID133321434
Molecular FormulaC19H19Cl2N5O
Molecular Weight404.30 g/mol
Exact Mass403.10
IUPAC Name5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCN(Cc3cccc(Cl)c3Cl)CC2)n1
InChIInChI=1S/C19H19Cl2N5O/c1-13-23-19(27-24-13)15-5-3-7-22-18(15)26-10-8-25(9-11-26)12-14-4-2-6-16(20)17(14)21/h2-7H,8-12H2,1H3
InChIKeyCOOLWWDJJTVATD-UHFFFAOYSA-N
XLogP4.07
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 71924549
3-methyl-5-[2-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133317102
5-[2-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 53182104
(2R)-1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
CID 133486181
5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propyl-1,2,4-oxadiazole
CID 53182081
5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53182065
1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 133328444
3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133380752
(2S)-2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 97308419
5-[2-[4-[(2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-ethyl-1,2,4-oxadiazole
CID 53182052
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891
1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone
CID 133321152

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (CID 133321434) is 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2cccnc2N2CCN(Cc3cccc(Cl)c3Cl)CC2)n1.
What is the InChIKey of 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is COOLWWDJJTVATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O/c1-13-23-19(27-24-13)15-5-3-7-22-18(15)26-10-8-25(9-11-26)12-14-4-2-6-16(20)17(14)21/h2-7H,8-12H2,1H3.
What are the key properties of 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 404.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 133321434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).