3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one

C7H11NO4 — CID 141139932

IUPAC3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one
SMILESCC1COC(N2CCOC2=O)O1
InChIInChI=1S/C7H11NO4/c1-5-4-11-7(12-5)8-2-3-10-6(8)9/h5,7H,2-4H2,1H3
InChIKeyZPFPDDBIBZRGRR-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.16
Rot. Bonds1

About 3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one

3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 141139932) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one
PubChem CID141139932
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one
SMILESCC1COC(N2CCOC2=O)O1
InChIInChI=1S/C7H11NO4/c1-5-4-11-7(12-5)8-2-3-10-6(8)9/h5,7H,2-4H2,1H3
InChIKeyZPFPDDBIBZRGRR-UHFFFAOYSA-N
XLogP0.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxyoxolan-3-yl)-1,3-oxazolidin-2-one
CID 130715193
3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one
CID 170450240
3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 135177505
3-(2-hydroxycyclohexyl)-1,3-oxazolidin-2-one
CID 22949482
3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 110710722
3-[1-(1-sulfanylethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 135196264
3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride
CID 138598218
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 138608058
3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 110710638
3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one
CID 135056977
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710655

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one (CID 141139932) is 3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one is CC1COC(N2CCOC2=O)O1.
What is the InChIKey of 3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is ZPFPDDBIBZRGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5-4-11-7(12-5)8-2-3-10-6(8)9/h5,7H,2-4H2,1H3.
What are the key properties of 3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one?
3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 173.17 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-dioxolan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 141139932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).