4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one

C8H13NO3 — CID 117158831

IUPAC4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CC2CCOC2)CO1
InChIInChI=1S/C8H13NO3/c10-8-9-7(5-12-8)3-6-1-2-11-4-6/h6-7H,1-5H2,(H,9,10)
InChIKeyDMFFHZBDVVQNHL-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.52
Rot. Bonds2

About 4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one

4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 117158831) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID117158831
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CC2CCOC2)CO1
InChIInChI=1S/C8H13NO3/c10-8-9-7(5-12-8)3-6-1-2-11-4-6/h6-7H,1-5H2,(H,9,10)
InChIKeyDMFFHZBDVVQNHL-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(cyclopropylmethyl)-1,3-oxazolidin-2-one
CID 67033996
4-(1,3-dithiolan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 15630906
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
3-(oxolan-3-ylmethyl)piperidine
CID 63563820
3-ethyloxolane
CID 10996972
3-(bromomethyl)oxolane
CID 14173422
(3S)-3-(isocyanatomethyl)oxolane
CID 95014450
(4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
CID 90304699
2-(oxolan-3-ylmethyl)-1,3-oxazinane
CID 117225885

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one (CID 117158831) is 4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one is O=C1NC(CC2CCOC2)CO1.
What is the InChIKey of 4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is DMFFHZBDVVQNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-8-9-7(5-12-8)3-6-1-2-11-4-6/h6-7H,1-5H2,(H,9,10).
What are the key properties of 4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one?
4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).