1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide

C20H26N4O4 — CID 175356595

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc3c(c2)CCO3)CC1C1=CONC(COC)=N1
InChIInChI=1S/C20H26N4O4/c1-21-20(25)16-10-24(8-13-3-4-18-14(7-13)5-6-27-18)9-15(16)17-11-28-23-19(22-17)12-26-2/h3-4,7,11,15-16H,5-6,8-10,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyKSDGAZHUVNZDSH-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.84
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 175356595) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID175356595
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc3c(c2)CCO3)CC1C1=CONC(COC)=N1
InChIInChI=1S/C20H26N4O4/c1-21-20(25)16-10-24(8-13-3-4-18-14(7-13)5-6-27-18)9-15(16)17-11-28-23-19(22-17)12-26-2/h3-4,7,11,15-16H,5-6,8-10,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyKSDGAZHUVNZDSH-UHFFFAOYSA-N
XLogP0.84
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91911142
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 156611340
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65062998
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
(5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897341
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 131643082
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743
4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine
CID 155800422
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 56559612
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 31000776
methyl 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-5-nitrobenzoate
CID 46655845

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide (CID 175356595) is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CN(Cc2ccc3c(c2)CCO3)CC1C1=CONC(COC)=N1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is KSDGAZHUVNZDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-21-20(25)16-10-24(8-13-3-4-18-14(7-13)5-6-27-18)9-15(16)17-11-28-23-19(22-17)12-26-2/h3-4,7,11,15-16H,5-6,8-10,12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide?
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 175356595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).