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

C15H17Cl2N5O2 — CID 87013030

IUPACN-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1noc(CN2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C15H17Cl2N5O2/c1-10-18-14(24-20-10)9-21-4-6-22(7-5-21)15(23)19-13-3-2-11(16)8-12(13)17/h2-3,8H,4-7,9H2,1H3,(H,19,23)
InChIKeyZWRSRGADWHFKGQ-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.03
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 87013030) has the molecular formula C15H17Cl2N5O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
PubChem CID87013030
Molecular FormulaC15H17Cl2N5O2
Molecular Weight370.24 g/mol
Exact Mass369.08
IUPAC NameN-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1noc(CN2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C15H17Cl2N5O2/c1-10-18-14(24-20-10)9-21-4-6-22(7-5-21)15(23)19-13-3-2-11(16)8-12(13)17/h2-3,8H,4-7,9H2,1H3,(H,19,23)
InChIKeyZWRSRGADWHFKGQ-UHFFFAOYSA-N
XLogP3.03
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide (CID 87013030) is N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide is Cc1noc(CN2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is ZWRSRGADWHFKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O2/c1-10-18-14(24-20-10)9-21-4-6-22(7-5-21)15(23)19-13-3-2-11(16)8-12(13)17/h2-3,8H,4-7,9H2,1H3,(H,19,23).
What are the key properties of N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide?
N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 370.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 87013030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).