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

C19H24N4O4 — CID 91911142

IUPAC(3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccc3c(c2)CCO3)C[C@H]1c1nc(COC)no1
InChIInChI=1S/C19H24N4O4/c1-20-18(24)14-9-23(8-12-3-4-16-13(7-12)5-6-26-16)10-15(14)19-21-17(11-25-2)22-27-19/h3-4,7,14-15H,5-6,8-11H2,1-2H3,(H,20,24)/t14-,15-/m1/s1
InChIKeyIZYYKGDHFNODPK-HUUCEWRRSA-N
MW372.43 g/mol
LogP1.11
Rot. Bonds6

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

(3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 91911142) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is (3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID91911142
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name(3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccc3c(c2)CCO3)C[C@H]1c1nc(COC)no1
InChIInChI=1S/C19H24N4O4/c1-20-18(24)14-9-23(8-12-3-4-16-13(7-12)5-6-26-16)10-15(14)19-21-17(11-25-2)22-27-19/h3-4,7,14-15H,5-6,8-11H2,1-2H3,(H,20,24)/t14-,15-/m1/s1
InChIKeyIZYYKGDHFNODPK-HUUCEWRRSA-N
XLogP1.11
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

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-[3-(methoxymethyl)-2H-1,2,4-oxadiazin-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 175356595
(3S,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91923276
(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 91911139
(3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91923274
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
4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine
CID 155800422
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (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) is (3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(Cc2ccc3c(c2)CCO3)C[C@H]1c1nc(COC)no1.
What is the InChIKey of (3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is IZYYKGDHFNODPK-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-20-18(24)14-9-23(8-12-3-4-16-13(7-12)5-6-26-16)10-15(14)19-21-17(11-25-2)22-27-19/h3-4,7,14-15H,5-6,8-11H2,1-2H3,(H,20,24)/t14-,15-/m1/s1.
What are the key properties of (3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91911142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).