1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide

C17H17N5O3 — CID 139412248

IUPAC1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide
SMILESCc1nc(-c2ccc3c(c2)OCC3NC(=O)c2cn(C)nc2C)no1
InChIInChI=1S/C17H17N5O3/c1-9-13(7-22(3)20-9)17(23)19-14-8-24-15-6-11(4-5-12(14)15)16-18-10(2)25-21-16/h4-7,14H,8H2,1-3H3,(H,19,23)
InChIKeyFMHWRLREBPVLIH-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.95
Rot. Bonds3

About 1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide

1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide (PubChem CID 139412248) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide
PubChem CID139412248
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide
SMILESCc1nc(-c2ccc3c(c2)OCC3NC(=O)c2cn(C)nc2C)no1
InChIInChI=1S/C17H17N5O3/c1-9-13(7-22(3)20-9)17(23)19-14-8-24-15-6-11(4-5-12(14)15)16-18-10(2)25-21-16/h4-7,14H,8H2,1-3H3,(H,19,23)
InChIKeyFMHWRLREBPVLIH-UHFFFAOYSA-N
XLogP1.95
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-N-[(3S)-6-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide
CID 139412478
3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide
CID 139412765
2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide
CID 139412428
6-methyl-N-[(3S)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 170957572
N-[(3S)-6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 139413028
N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide
CID 139412760
N-cyclopentyl-3-methyl-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
CID 46378694
N-[(3S)-6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-3-hydroxyazetidine-1-carboxamide
CID 139412677
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 139412640
2-(hydroxymethyl)-N-[(3S)-6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 139413142

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide (CID 139412248) is 1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide is Cc1nc(-c2ccc3c(c2)OCC3NC(=O)c2cn(C)nc2C)no1.
What is the InChIKey of 1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide?
The InChIKey is FMHWRLREBPVLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-9-13(7-22(3)20-9)17(23)19-14-8-24-15-6-11(4-5-12(14)15)16-18-10(2)25-21-16/h4-7,14H,8H2,1-3H3,(H,19,23).
What are the key properties of 1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 139412248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).