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

C16H19ClFN5O2 — CID 60508768

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1noc(CN2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)n1
InChIInChI=1S/C16H19ClFN5O2/c1-11-19-16(25-21-11)10-23-6-4-22(5-7-23)9-15(24)20-12-2-3-14(18)13(17)8-12/h2-3,8H,4-7,9-10H2,1H3,(H,20,24)
InChIKeyOTFWZMHLSKAETD-UHFFFAOYSA-N
MW367.81 g/mol
LogP1.93
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 60508768) has the molecular formula C16H19ClFN5O2 and a molecular weight of 367.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID60508768
Molecular FormulaC16H19ClFN5O2
Molecular Weight367.81 g/mol
Exact Mass367.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1noc(CN2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)n1
InChIInChI=1S/C16H19ClFN5O2/c1-11-19-16(25-21-11)10-23-6-4-22(5-7-23)9-15(24)20-12-2-3-14(18)13(17)8-12/h2-3,8H,4-7,9-10H2,1H3,(H,20,24)
InChIKeyOTFWZMHLSKAETD-UHFFFAOYSA-N
XLogP1.93
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 60508768) is N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is Cc1noc(CN2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is OTFWZMHLSKAETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5O2/c1-11-19-16(25-21-11)10-23-6-4-22(5-7-23)9-15(24)20-12-2-3-14(18)13(17)8-12/h2-3,8H,4-7,9-10H2,1H3,(H,20,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 367.81 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 60508768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).