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

C20H17Cl2FN4O2 — CID 55739837

IUPAC(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C20H17Cl2FN4O2/c21-13-5-6-17(23)15(11-13)20(28)27-9-7-26(8-10-27)12-18-24-25-19(29-18)14-3-1-2-4-16(14)22/h1-6,11H,7-10,12H2
InChIKeyHAMGOJXPORLSKX-UHFFFAOYSA-N
MW435.29 g/mol
LogP4.14
Rot. Bonds4

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

(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 55739837) has the molecular formula C20H17Cl2FN4O2 and a molecular weight of 435.29 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID55739837
Molecular FormulaC20H17Cl2FN4O2
Molecular Weight435.29 g/mol
Exact Mass434.07
IUPAC Name(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C20H17Cl2FN4O2/c21-13-5-6-17(23)15(11-13)20(28)27-9-7-26(8-10-27)12-18-24-25-19(29-18)14-3-1-2-4-16(14)22/h1-6,11H,7-10,12H2
InChIKeyHAMGOJXPORLSKX-UHFFFAOYSA-N
XLogP4.14
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone (CID 55739837) is (5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone is O=C(c1cc(Cl)ccc1F)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is HAMGOJXPORLSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN4O2/c21-13-5-6-17(23)15(11-13)20(28)27-9-7-26(8-10-27)12-18-24-25-19(29-18)14-3-1-2-4-16(14)22/h1-6,11H,7-10,12H2.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 435.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55739837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).