(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone

C21H20ClFN4O2 — CID 110658504

IUPAC(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H20ClFN4O2/c22-16-7-4-8-17(23)19(16)21(28)27-13-11-26(12-14-27)10-9-18-24-25-20(29-18)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyGYLZHCGSMOVOIT-UHFFFAOYSA-N
MW414.87 g/mol
LogP3.53
Rot. Bonds5

About (2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 110658504) has the molecular formula C21H20ClFN4O2 and a molecular weight of 414.87 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
PubChem CID110658504
Molecular FormulaC21H20ClFN4O2
Molecular Weight414.87 g/mol
Exact Mass414.13
IUPAC Name(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H20ClFN4O2/c22-16-7-4-8-17(23)19(16)21(28)27-13-11-26(12-14-27)10-9-18-24-25-20(29-18)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyGYLZHCGSMOVOIT-UHFFFAOYSA-N
XLogP3.53
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658449
1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658437
2-methyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658439
phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110658516
2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 110658483
2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one
CID 110658447
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
2-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658604
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
2-chloro-6-fluoro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321097
2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658538
2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658537

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone (CID 110658504) is (2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone is O=C(c1c(F)cccc1Cl)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is GYLZHCGSMOVOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O2/c22-16-7-4-8-17(23)19(16)21(28)27-13-11-26(12-14-27)10-9-18-24-25-20(29-18)15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 414.87 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110658504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).