5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide

C20H19N3O4 — CID 22431907

IUPAC5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(CNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-13(15-5-3-2-4-6-15)11-21-19(24)20-23-22-18(27-20)10-14-7-8-16-17(9-14)26-12-25-16/h2-9,13H,10-12H2,1H3,(H,21,24)
InChIKeyJABYEKSTWVBNIU-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.92
Rot. Bonds6

About 5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide

5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431907) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431907
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(CNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-13(15-5-3-2-4-6-15)11-21-19(24)20-23-22-18(27-20)10-14-7-8-16-17(9-14)26-12-25-16/h2-9,13H,10-12H2,1H3,(H,21,24)
InChIKeyJABYEKSTWVBNIU-UHFFFAOYSA-N
XLogP2.92
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431900
5-(1,3-benzodioxol-5-ylmethyl)-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431894
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8531553
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide
CID 18144830
N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-benzoylbenzamide
CID 41179053
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 31946505
5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393199
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-phenylpropyl)prop-2-enamide
CID 43010791
2-(1,3-benzodioxol-5-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973406
(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 94878697
methyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylacetate
CID 82344699
N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16820716

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide (CID 22431907) is 5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide is CC(CNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccccc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JABYEKSTWVBNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13(15-5-3-2-4-6-15)11-21-19(24)20-23-22-18(27-20)10-14-7-8-16-17(9-14)26-12-25-16/h2-9,13H,10-12H2,1H3,(H,21,24).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide?
5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).