N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

C20H19ClFN5O2 — CID 133081723

IUPACN-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
SMILESCc1nc(-c2ccc(N3CCN(C(=O)Nc4c(F)cccc4Cl)CC3)cc2)no1
InChIInChI=1S/C20H19ClFN5O2/c1-13-23-19(25-29-13)14-5-7-15(8-6-14)26-9-11-27(12-10-26)20(28)24-18-16(21)3-2-4-17(18)22/h2-8H,9-12H2,1H3,(H,24,28)
InChIKeyZYIJUZGGSMKWQK-UHFFFAOYSA-N
MW415.86 g/mol
LogP4.19
Rot. Bonds3

About N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide (PubChem CID 133081723) has the molecular formula C20H19ClFN5O2 and a molecular weight of 415.86 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
PubChem CID133081723
Molecular FormulaC20H19ClFN5O2
Molecular Weight415.86 g/mol
Exact Mass415.12
IUPAC NameN-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
SMILESCc1nc(-c2ccc(N3CCN(C(=O)Nc4c(F)cccc4Cl)CC3)cc2)no1
InChIInChI=1S/C20H19ClFN5O2/c1-13-23-19(25-29-13)14-5-7-15(8-6-14)26-9-11-27(12-10-26)20(28)24-18-16(21)3-2-4-17(18)22/h2-8H,9-12H2,1H3,(H,24,28)
InChIKeyZYIJUZGGSMKWQK-UHFFFAOYSA-N
XLogP4.19
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide (CID 133081723) is N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide is Cc1nc(-c2ccc(N3CCN(C(=O)Nc4c(F)cccc4Cl)CC3)cc2)no1.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is ZYIJUZGGSMKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O2/c1-13-23-19(25-29-13)14-5-7-15(8-6-14)26-9-11-27(12-10-26)20(28)24-18-16(21)3-2-4-17(18)22/h2-8H,9-12H2,1H3,(H,24,28).
What are the key properties of N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 415.86 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 133081723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).