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

C15H17ClFN5O2 — CID 72879729

IUPACN-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)no1
InChIInChI=1S/C15H17ClFN5O2/c1-10-18-14(20-24-10)9-21-4-6-22(7-5-21)15(23)19-11-2-3-12(16)13(17)8-11/h2-3,8H,4-7,9H2,1H3,(H,19,23)
InChIKeyVCYVNCAOHMPYTK-UHFFFAOYSA-N
MW353.79 g/mol
LogP2.52
Rot. Bonds3

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

N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 72879729) has the molecular formula C15H17ClFN5O2 and a molecular weight of 353.79 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID72879729
Molecular FormulaC15H17ClFN5O2
Molecular Weight353.79 g/mol
Exact Mass353.11
IUPAC NameN-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)no1
InChIInChI=1S/C15H17ClFN5O2/c1-10-18-14(20-24-10)9-21-4-6-22(7-5-21)15(23)19-11-2-3-12(16)13(17)8-11/h2-3,8H,4-7,9H2,1H3,(H,19,23)
InChIKeyVCYVNCAOHMPYTK-UHFFFAOYSA-N
XLogP2.52
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide (CID 72879729) is N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide is Cc1nc(CN2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)no1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is VCYVNCAOHMPYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN5O2/c1-10-18-14(20-24-10)9-21-4-6-22(7-5-21)15(23)19-11-2-3-12(16)13(17)8-11/h2-3,8H,4-7,9H2,1H3,(H,19,23).
What are the key properties of N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?
N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 353.79 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 72879729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).