2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole

C17H20N6O2 — CID 56817361

IUPAC2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CN3CCC(c4nnc5n4CCC5)CC3)o2)c1
InChIInChI=1S/C17H20N6O2/c1-4-14-18-20-16(23(14)7-1)12-5-8-22(9-6-12)11-15-19-21-17(25-15)13-3-2-10-24-13/h2-3,10,12H,1,4-9,11H2
InChIKeyJTFWITZMCNAGIC-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.25
Rot. Bonds4

About 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole

2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 56817361) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID56817361
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CN3CCC(c4nnc5n4CCC5)CC3)o2)c1
InChIInChI=1S/C17H20N6O2/c1-4-14-18-20-16(23(14)7-1)12-5-8-22(9-6-12)11-15-19-21-17(25-15)13-3-2-10-24-13/h2-3,10,12H,1,4-9,11H2
InChIKeyJTFWITZMCNAGIC-UHFFFAOYSA-N
XLogP2.25
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 167881176
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol
CID 107408294
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanol
CID 79833803
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 135106989
1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
CID 134046339
(2R)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277664
furan-2-yl-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 26495653
(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 124622469
5-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 154774973

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 56817361) is 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is c1coc(-c2nnc(CN3CCC(c4nnc5n4CCC5)CC3)o2)c1.
What is the InChIKey of 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is JTFWITZMCNAGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-4-14-18-20-16(23(14)7-1)12-5-8-22(9-6-12)11-15-19-21-17(25-15)13-3-2-10-24-13/h2-3,10,12H,1,4-9,11H2.
What are the key properties of 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 340.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 56817361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).