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

C18H17ClN4O3 — CID 26495651

IUPAC[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-14-5-2-1-4-13(14)17-21-20-16(26-17)12-22-7-9-23(10-8-22)18(24)15-6-3-11-25-15/h1-6,11H,7-10,12H2
InChIKeyLFUQBBULCBJABT-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.94
Rot. Bonds4

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

[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 26495651) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID26495651
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-14-5-2-1-4-13(14)17-21-20-16(26-17)12-22-7-9-23(10-8-22)18(24)15-6-3-11-25-15/h1-6,11H,7-10,12H2
InChIKeyLFUQBBULCBJABT-UHFFFAOYSA-N
XLogP2.94
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

furan-2-yl-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 26495653
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34834678
(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 55739837
ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride
CID 53352461
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide
CID 55394988
2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 27128804
2-(2-chlorophenyl)-5-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30727885
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 110319665
[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 55409921
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422
[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 126495134
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 18088347

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 26495651) is [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LFUQBBULCBJABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-14-5-2-1-4-13(14)17-21-20-16(26-17)12-22-7-9-23(10-8-22)18(24)15-6-3-11-25-15/h1-6,11H,7-10,12H2.
What are the key properties of [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 372.81 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 26495651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).