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

C18H17FN4O3 — CID 22432452

IUPAC[4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C18H17FN4O3/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
InChIKeyMFXWCRGNYZHDBR-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.43
Rot. Bonds4

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

[4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 22432452) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID22432452
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name[4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C18H17FN4O3/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
InChIKeyMFXWCRGNYZHDBR-UHFFFAOYSA-N
XLogP2.43
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 22432452) is [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3F)o2)CC1.
What is the InChIKey of [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MFXWCRGNYZHDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/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-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 356.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 22432452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).