N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide

C15H14N6O5 — CID 157014661

IUPACN-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1nc(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)nn1C
InChIInChI=1S/C15H14N6O5/c1-21-15(23-2)18-12(19-21)13(22)16-6-11-17-14(26-20-11)8-3-4-9-10(5-8)25-7-24-9/h3-5H,6-7H2,1-2H3,(H,16,22)
InChIKeyYRSLXXWFWYOSIG-UHFFFAOYSA-N
MW358.31 g/mol
LogP0.53
Rot. Bonds5

About N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide

N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 157014661) has the molecular formula C15H14N6O5 and a molecular weight of 358.31 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID157014661
Molecular FormulaC15H14N6O5
Molecular Weight358.31 g/mol
Exact Mass358.10
IUPAC NameN-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1nc(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)nn1C
InChIInChI=1S/C15H14N6O5/c1-21-15(23-2)18-12(19-21)13(22)16-6-11-17-14(26-20-11)8-3-4-9-10(5-8)25-7-24-9/h3-5H,6-7H2,1-2H3,(H,16,22)
InChIKeyYRSLXXWFWYOSIG-UHFFFAOYSA-N
XLogP0.53
TPSA126.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(4-ethyl-1,3-dimethylpyrazol-5-yl)urea
CID 118796007
5-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 83277971
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012402
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 135112950
5-(1,3-benzodioxol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 83272993
5-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 83273686
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97126062
3-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 50981196
N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 42797734
(2R)-N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95205301
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine
CID 56909311

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide (CID 157014661) is N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide is COc1nc(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)nn1C.
What is the InChIKey of N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is YRSLXXWFWYOSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O5/c1-21-15(23-2)18-12(19-21)13(22)16-6-11-17-14(26-20-11)8-3-4-9-10(5-8)25-7-24-9/h3-5H,6-7H2,1-2H3,(H,16,22).
What are the key properties of N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide?
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 358.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 157014661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).