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

C18H17ClN4O3 — CID 34834678

IUPAC[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-15-4-2-1-3-14(15)17-21-20-16(26-17)11-22-6-8-23(9-7-22)18(24)13-5-10-25-12-13/h1-5,10,12H,6-9,11H2
InChIKeyUBRSUMMMJFRAPH-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-3-yl)methanone

[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 34834678) 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-3-yl)methanone.

Molecular Properties

Compound Name[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID34834678
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-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-15-4-2-1-3-14(15)17-21-20-16(26-17)11-22-6-8-23(9-7-22)18(24)13-5-10-25-12-13/h1-5,10,12H,6-9,11H2
InChIKeyUBRSUMMMJFRAPH-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

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Related Compounds

[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 26495651
(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
2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 27128804
[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 55409921
[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 30803824
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422
[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32532166
2-(2-chlorophenyl)-5-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30727885
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 18088347
2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17409652
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone (CID 34834678) is [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)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-3-yl)methanone?
The InChIKey is UBRSUMMMJFRAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-15-4-2-1-3-14(15)17-21-20-16(26-17)11-22-6-8-23(9-7-22)18(24)13-5-10-25-12-13/h1-5,10,12H,6-9,11H2.
What are the key properties of [4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-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-3-yl)methanone is sourced from PubChem (CID 34834678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).