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

C15H16N6O2 — CID 72844673

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
SMILESCCc1nnc(CN(C)C(=O)c2cccc(-n3cnnc3)c2)o1
InChIInChI=1S/C15H16N6O2/c1-3-13-18-19-14(23-13)8-20(2)15(22)11-5-4-6-12(7-11)21-9-16-17-10-21/h4-7,9-10H,3,8H2,1-2H3
InChIKeyAUJSDHCZPWIMOV-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.48
Rot. Bonds5

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

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 72844673) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID72844673
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
SMILESCCc1nnc(CN(C)C(=O)c2cccc(-n3cnnc3)c2)o1
InChIInChI=1S/C15H16N6O2/c1-3-13-18-19-14(23-13)8-20(2)15(22)11-5-4-6-12(7-11)21-9-16-17-10-21/h4-7,9-10H,3,8H2,1-2H3
InChIKeyAUJSDHCZPWIMOV-UHFFFAOYSA-N
XLogP1.48
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
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CID 56745611
N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
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N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
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N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 70727244
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
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N,3-diethyl-N-methylbenzamide
CID 89250993
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 70763383
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide (CID 72844673) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide is CCc1nnc(CN(C)C(=O)c2cccc(-n3cnnc3)c2)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is AUJSDHCZPWIMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-3-13-18-19-14(23-13)8-20(2)15(22)11-5-4-6-12(7-11)21-9-16-17-10-21/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 312.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 72844673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).