1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C17H18N2O4 — CID 50809243

IUPAC1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C2CCCN2C(=O)c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C17H18N2O4/c1-2-12-9-15(23-18-12)13-4-3-7-19(13)17(20)11-5-6-14-16(8-11)22-10-21-14/h5-6,8-9,13H,2-4,7,10H2,1H3
InChIKeyBQIYINCHTKGGFI-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.94
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 50809243) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID50809243
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C2CCCN2C(=O)c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C17H18N2O4/c1-2-12-9-15(23-18-12)13-4-3-7-19(13)17(20)11-5-6-14-16(8-11)22-10-21-14/h5-6,8-9,13H,2-4,7,10H2,1H3
InChIKeyBQIYINCHTKGGFI-UHFFFAOYSA-N
XLogP2.94
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731895
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92731941
1,3-benzodioxol-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124976475
1,3-benzodioxol-5-yl-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 110103815
2-(1,3-benzodioxol-5-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56817847
1,3-benzodioxol-5-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652539
2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 50809054
1,3-benzodioxol-5-yl-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 42765142
1,3-benzodioxol-5-yl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760369
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 92731961
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 92893660
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731907

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 50809243) is 1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is CCc1cc(C2CCCN2C(=O)c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is BQIYINCHTKGGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-12-9-15(23-18-12)13-4-3-7-19(13)17(20)11-5-6-14-16(8-11)22-10-21-14/h5-6,8-9,13H,2-4,7,10H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 314.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50809243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).