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

C16H18N4O4 — CID 95298703

IUPAC(2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C16H18N4O4/c1-17-16(21)11-3-2-6-20(11)8-14-18-15(19-24-14)10-4-5-12-13(7-10)23-9-22-12/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeySDLXCBGIFINELO-LLVKDONJSA-N
MW330.34 g/mol
LogP1.18
Rot. Bonds4

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

(2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 95298703) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID95298703
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name(2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C16H18N4O4/c1-17-16(21)11-3-2-6-20(11)8-14-18-15(19-24-14)10-4-5-12-13(7-10)23-9-22-12/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeySDLXCBGIFINELO-LLVKDONJSA-N
XLogP1.18
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide (CID 95298703) is (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@H]1CCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1.
What is the InChIKey of (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is SDLXCBGIFINELO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-17-16(21)11-3-2-6-20(11)8-14-18-15(19-24-14)10-4-5-12-13(7-10)23-9-22-12/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,21)/t11-/m1/s1.
What are the key properties of (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
(2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95298703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).