2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride

C7H14ClNO2 — CID 117225597

IUPAC2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESC1COC(C2CCOC2)N1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-3-9-5-6(1)7-8-2-4-10-7;/h6-8H,1-5H2;1H
InChIKeyUJIPXDNBRKNOBT-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.39
Rot. Bonds1

About 2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride

2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117225597) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117225597
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESC1COC(C2CCOC2)N1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-3-9-5-6(1)7-8-2-4-10-7;/h6-8H,1-5H2;1H
InChIKeyUJIPXDNBRKNOBT-UHFFFAOYSA-N
XLogP0.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
CID 117225611
2-cyclohexyl-1,3-oxazolidine
CID 117225833
(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
CID 112756865
(3S)-3-[(2R)-oxiran-2-yl]oxolane
CID 94590793
2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117225605
3,8-dioxabicyclo[4.2.0]octane
CID 83669972
6-methyl-2-(oxolan-3-yl)-1,3-thiazinane
CID 66224217
1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole
CID 68902591
(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 146154961
(3S)-3-[(3R)-oxolan-3-yl]pyrrolidine
CID 94398019
3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 77232572
2-(1-methylpiperidin-3-yl)-1,3-oxazolidine
CID 117225662

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride (CID 117225597) is 2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride is C1COC(C2CCOC2)N1.Cl.
What is the InChIKey of 2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is UJIPXDNBRKNOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-3-9-5-6(1)7-8-2-4-10-7;/h6-8H,1-5H2;1H.
What are the key properties of 2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride?
2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117225597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).