N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

C18H23ClFN5O2 — CID 30890787

IUPACN-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)c1noc(CN2CCN(CC(=O)Nc3ccc(F)cc3Cl)CC2)n1
InChIInChI=1S/C18H23ClFN5O2/c1-12(2)18-22-17(27-23-18)11-25-7-5-24(6-8-25)10-16(26)21-15-4-3-13(20)9-14(15)19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,21,26)
InChIKeyONOAVRJLDWCDBQ-UHFFFAOYSA-N
MW395.87 g/mol
LogP2.74
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30890787) has the molecular formula C18H23ClFN5O2 and a molecular weight of 395.87 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID30890787
Molecular FormulaC18H23ClFN5O2
Molecular Weight395.87 g/mol
Exact Mass395.15
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)c1noc(CN2CCN(CC(=O)Nc3ccc(F)cc3Cl)CC2)n1
InChIInChI=1S/C18H23ClFN5O2/c1-12(2)18-22-17(27-23-18)11-25-7-5-24(6-8-25)10-16(26)21-15-4-3-13(20)9-14(15)19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,21,26)
InChIKeyONOAVRJLDWCDBQ-UHFFFAOYSA-N
XLogP2.74
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 30890787) is N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is CC(C)c1noc(CN2CCN(CC(=O)Nc3ccc(F)cc3Cl)CC2)n1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ONOAVRJLDWCDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN5O2/c1-12(2)18-22-17(27-23-18)11-25-7-5-24(6-8-25)10-16(26)21-15-4-3-13(20)9-14(15)19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,21,26).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 395.87 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30890787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).