3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide

C15H14Cl2N6O2 — CID 126803731

IUPAC3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCc1nc(CCN(C)C(=O)c2cnnn2-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C15H14Cl2N6O2/c1-9-19-13(20-25-9)6-7-22(2)15(24)12-8-18-21-23(12)14-10(16)4-3-5-11(14)17/h3-5,8H,6-7H2,1-2H3
InChIKeyNPWAUFOEMUYAGU-UHFFFAOYSA-N
MW381.22 g/mol
LogP2.58
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide (PubChem CID 126803731) has the molecular formula C15H14Cl2N6O2 and a molecular weight of 381.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
PubChem CID126803731
Molecular FormulaC15H14Cl2N6O2
Molecular Weight381.22 g/mol
Exact Mass380.06
IUPAC Name3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCc1nc(CCN(C)C(=O)c2cnnn2-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C15H14Cl2N6O2/c1-9-19-13(20-25-9)6-7-22(2)15(24)12-8-18-21-23(12)14-10(16)4-3-5-11(14)17/h3-5,8H,6-7H2,1-2H3
InChIKeyNPWAUFOEMUYAGU-UHFFFAOYSA-N
XLogP2.58
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 91762262
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055628
N,2,2-trimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 136542412
3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 72902706
3-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 121499317
(2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 125142916
N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 19928660
2-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055755
3-chloro-4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103736148
3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 90649073
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide (CID 126803731) is 3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide is Cc1nc(CCN(C)C(=O)c2cnnn2-c2c(Cl)cccc2Cl)no1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The InChIKey is NPWAUFOEMUYAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N6O2/c1-9-19-13(20-25-9)6-7-22(2)15(24)12-8-18-21-23(12)14-10(16)4-3-5-11(14)17/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide has a molecular weight of 381.22 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 126803731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).