5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C18H20N4O4 — CID 129002469

IUPAC5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CCCN2Cc2cccc3c2OCO3)n1
InChIInChI=1S/C18H20N4O4/c23-17(19-12-6-7-12)16-20-18(26-21-16)13-4-2-8-22(13)9-11-3-1-5-14-15(11)25-10-24-14/h1,3,5,12-13H,2,4,6-10H2,(H,19,23)
InChIKeyASDHCCOIPQKAQN-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.03
Rot. Bonds5

About 5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129002469) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID129002469
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CCCN2Cc2cccc3c2OCO3)n1
InChIInChI=1S/C18H20N4O4/c23-17(19-12-6-7-12)16-20-18(26-21-16)13-4-2-8-22(13)9-11-3-1-5-14-15(11)25-10-24-14/h1,3,5,12-13H,2,4,6-10H2,(H,19,23)
InChIKeyASDHCCOIPQKAQN-UHFFFAOYSA-N
XLogP2.03
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-5-[(2S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129332759
N-cyclopropyl-5-[(2R)-1-[(6-propan-2-yl-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129331466
N-cyclopropyl-5-[(2S)-1-[(6-ethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129342811
N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129001579
N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129338292
N-cyclopropyl-5-[(2S)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344538
N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344537
N-cyclopropyl-5-[(2S)-1-(oxan-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129330909
4-[(2R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 95143216
N-cyclopropyl-5-[(2S)-1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129337095
5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129335596
5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129331176

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 129002469) is 5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc(C2CCCN2Cc2cccc3c2OCO3)n1.
What is the InChIKey of 5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ASDHCCOIPQKAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-17(19-12-6-7-12)16-20-18(26-21-16)13-4-2-8-22(13)9-11-3-1-5-14-15(11)25-10-24-14/h1,3,5,12-13H,2,4,6-10H2,(H,19,23).
What are the key properties of 5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129002469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).