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

C17H17ClN4O2 — CID 134019522

IUPAC5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESClc1ccccc1N1CCN(Cc2nc(-c3ccco3)no2)CC1
InChIInChI=1S/C17H17ClN4O2/c18-13-4-1-2-5-14(13)22-9-7-21(8-10-22)12-16-19-17(20-24-16)15-6-3-11-23-15/h1-6,11H,7-10,12H2
InChIKeyCFOISGPLOVDINH-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.31
Rot. Bonds4

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

5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 134019522) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID134019522
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESClc1ccccc1N1CCN(Cc2nc(-c3ccco3)no2)CC1
InChIInChI=1S/C17H17ClN4O2/c18-13-4-1-2-5-14(13)22-9-7-21(8-10-22)12-16-19-17(20-24-16)15-6-3-11-23-15/h1-6,11H,7-10,12H2
InChIKeyCFOISGPLOVDINH-UHFFFAOYSA-N
XLogP3.31
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46558716
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 134019590
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 37264714
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 86774857
N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 80546709
(3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 86928388
5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 37266637

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 134019522) is 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole is Clc1ccccc1N1CCN(Cc2nc(-c3ccco3)no2)CC1.
What is the InChIKey of 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is CFOISGPLOVDINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-13-4-1-2-5-14(13)22-9-7-21(8-10-22)12-16-19-17(20-24-16)15-6-3-11-23-15/h1-6,11H,7-10,12H2.
What are the key properties of 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 344.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 134019522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).