(4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone

C20H19FN4O2 — CID 110392272

IUPAC(4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(-c2ccccc2F)o1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H19FN4O2/c21-17-9-5-4-8-16(17)18-22-23-19(27-18)20(26)25-12-10-24(11-13-25)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyGISGDJDIMOEQEP-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.83
Rot. Bonds4

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

(4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 110392272) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID110392272
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name(4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(-c2ccccc2F)o1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H19FN4O2/c21-17-9-5-4-8-16(17)18-22-23-19(27-18)20(26)25-12-10-24(11-13-25)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyGISGDJDIMOEQEP-UHFFFAOYSA-N
XLogP2.83
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391085
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
CID 18157493
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 55739837
5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392294
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 55503065
(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503396
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 26495651
1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963248
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone (CID 110392272) is (4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone is O=C(c1nnc(-c2ccccc2F)o1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is GISGDJDIMOEQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-17-9-5-4-8-16(17)18-22-23-19(27-18)20(26)25-12-10-24(11-13-25)14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone?
(4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 366.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 110392272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).