N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide

C15H16N6O2 — CID 29257522

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCc1noc(CN(C)C(=O)c2ccccc2-c2ncn[nH]2)n1
InChIInChI=1S/C15H16N6O2/c1-3-12-18-13(23-20-12)8-21(2)15(22)11-7-5-4-6-10(11)14-16-9-17-19-14/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyJGHDMLBZJHDJAS-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.69
Rot. Bonds5

About N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 29257522) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID29257522
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCc1noc(CN(C)C(=O)c2ccccc2-c2ncn[nH]2)n1
InChIInChI=1S/C15H16N6O2/c1-3-12-18-13(23-20-12)8-21(2)15(22)11-7-5-4-6-10(11)14-16-9-17-19-14/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyJGHDMLBZJHDJAS-UHFFFAOYSA-N
XLogP1.69
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 29257522) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide is CCc1noc(CN(C)C(=O)c2ccccc2-c2ncn[nH]2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is JGHDMLBZJHDJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-3-12-18-13(23-20-12)8-21(2)15(22)11-7-5-4-6-10(11)14-16-9-17-19-14/h4-7,9H,3,8H2,1-2H3,(H,16,17,19).
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 312.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 29257522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).