5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole

C17H23ClN4O — CID 134056304

IUPAC5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C17H23ClN4O/c1-13(2)10-16-19-17(23-20-16)12-21-6-8-22(9-7-21)15-5-3-4-14(18)11-15/h3-5,11,13H,6-10,12H2,1-2H3
InChIKeyVBSYUOISSCDDHI-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.24
Rot. Bonds5

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

5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 134056304) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID134056304
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C17H23ClN4O/c1-13(2)10-16-19-17(23-20-16)12-21-6-8-22(9-7-21)15-5-3-4-14(18)11-15/h3-5,11,13H,6-10,12H2,1-2H3
InChIKeyVBSYUOISSCDDHI-UHFFFAOYSA-N
XLogP3.24
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47020393
5-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 24631405
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 51108336
3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 134018585
5-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 18155952
3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole
CID 95331224
5-[[4-(3-bromophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 165432503
3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 56804565
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866934
[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
CID 62424244
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole (CID 134056304) is 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole is CC(C)Cc1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is VBSYUOISSCDDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-13(2)10-16-19-17(23-20-16)12-21-6-8-22(9-7-21)15-5-3-4-14(18)11-15/h3-5,11,13H,6-10,12H2,1-2H3.
What are the key properties of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 334.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 134056304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).