2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide

C17H21N3O5 — CID 70748694

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)N(C)Cc1noc(C(C)C)n1
InChIInChI=1S/C17H21N3O5/c1-10(2)16-18-15(19-25-16)8-20(4)17(21)11(3)24-12-5-6-13-14(7-12)23-9-22-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeyVNNRVTQPOYKGBG-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.35
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide

2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 70748694) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID70748694
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)N(C)Cc1noc(C(C)C)n1
InChIInChI=1S/C17H21N3O5/c1-10(2)16-18-15(19-25-16)8-20(4)17(21)11(3)24-12-5-6-13-14(7-12)23-9-22-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeyVNNRVTQPOYKGBG-UHFFFAOYSA-N
XLogP2.35
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 42116222
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 42116226
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 95209370
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 55825188
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
CID 45147826
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide
CID 27863638
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
5-[(1S)-1-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 95214394
(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid
CID 93105125
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176932
5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118791795

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 70748694) is 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is CC(Oc1ccc2c(c1)OCO2)C(=O)N(C)Cc1noc(C(C)C)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is VNNRVTQPOYKGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-10(2)16-18-15(19-25-16)8-20(4)17(21)11(3)24-12-5-6-13-14(7-12)23-9-22-13/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 347.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 70748694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).