N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

C16H19N3O4 — CID 138026418

IUPACN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCOC(C)c1noc(CN(C)C(=O)c2cccc3c2OCC3)n1
InChIInChI=1S/C16H19N3O4/c1-10(21-3)15-17-13(23-18-15)9-19(2)16(20)12-6-4-5-11-7-8-22-14(11)12/h4-6,10H,7-9H2,1-3H3
InChIKeyUJPWJSODRJGACF-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.98
Rot. Bonds5

About N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 138026418) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID138026418
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCOC(C)c1noc(CN(C)C(=O)c2cccc3c2OCC3)n1
InChIInChI=1S/C16H19N3O4/c1-10(21-3)15-17-13(23-18-15)9-19(2)16(20)12-6-4-5-11-7-8-22-14(11)12/h4-6,10H,7-9H2,1-3H3
InChIKeyUJPWJSODRJGACF-UHFFFAOYSA-N
XLogP1.98
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride
CID 119945957
3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 95787655
cis-(1S,2R)-2-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132563
(2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119818603
5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 119186927
3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982124
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 56738321
3-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119818597
6-chloro-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazin-2-amine
CID 71980285
(3S)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97137497
N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72899466

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 138026418) is N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide is COC(C)c1noc(CN(C)C(=O)c2cccc3c2OCC3)n1.
What is the InChIKey of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is UJPWJSODRJGACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10(21-3)15-17-13(23-18-15)9-19(2)16(20)12-6-4-5-11-7-8-22-14(11)12/h4-6,10H,7-9H2,1-3H3.
What are the key properties of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 138026418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).