2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine

C10H11NO3 — CID 71380359

IUPAC2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine
SMILESc1cc2c(cc1C1NCCO1)OCO2
InChIInChI=1S/C10H11NO3/c1-2-8-9(14-6-13-8)5-7(1)10-11-3-4-12-10/h1-2,5,10-11H,3-4,6H2
InChIKeyGUADOUHDTOMTOH-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.03
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine

2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine (PubChem CID 71380359) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine
PubChem CID71380359
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine
SMILESc1cc2c(cc1C1NCCO1)OCO2
InChIInChI=1S/C10H11NO3/c1-2-8-9(14-6-13-8)5-7(1)10-11-3-4-12-10/h1-2,5,10-11H,3-4,6H2
InChIKeyGUADOUHDTOMTOH-UHFFFAOYSA-N
XLogP1.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
2-(1,3-benzodioxol-5-yl)piperazine
CID 2771771
5-(oxolan-2-yl)-1,3-benzodioxole
CID 10035471
2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride
CID 14155913
2-(4-tert-butylphenyl)-1,3-oxazolidine
CID 82112797
5-[(3R,6R)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
CID 101066122
5-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 4643659
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
2-(1,3-benzodioxol-5-yl)-5-chloro-2,3-dihydro-1,3-benzoxazole
CID 2806671
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
2-(1,3-benzodioxol-5-yl)cyclopentane-1,3-dione
CID 121015997
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine
CID 82116569

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine (CID 71380359) is 2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine is c1cc2c(cc1C1NCCO1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine?
The InChIKey is GUADOUHDTOMTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-8-9(14-6-13-8)5-7(1)10-11-3-4-12-10/h1-2,5,10-11H,3-4,6H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine?
2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine has a molecular weight of 193.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine is sourced from PubChem (CID 71380359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).