furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone

C19H20N4O3 — CID 22432373

IUPACfuran-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccccc1-c1nnc(CN2CCN(C(=O)c3ccco3)CC2)o1
InChIInChI=1S/C19H20N4O3/c1-14-5-2-3-6-15(14)18-21-20-17(26-18)13-22-8-10-23(11-9-22)19(24)16-7-4-12-25-16/h2-7,12H,8-11,13H2,1H3
InChIKeyQYCUUIVFSYRMTO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.60
Rot. Bonds4

About furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 22432373) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID22432373
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namefuran-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccccc1-c1nnc(CN2CCN(C(=O)c3ccco3)CC2)o1
InChIInChI=1S/C19H20N4O3/c1-14-5-2-3-6-15(14)18-21-20-17(26-18)13-22-8-10-23(11-9-22)19(24)16-7-4-12-25-16/h2-7,12H,8-11,13H2,1H3
InChIKeyQYCUUIVFSYRMTO-UHFFFAOYSA-N
XLogP2.60
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone (CID 22432373) is furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone is Cc1ccccc1-c1nnc(CN2CCN(C(=O)c3ccco3)CC2)o1.
What is the InChIKey of furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is QYCUUIVFSYRMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14-5-2-3-6-15(14)18-21-20-17(26-18)13-22-8-10-23(11-9-22)19(24)16-7-4-12-25-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 352.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 22432373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).