2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one

C8H11NO3 — CID 130614201

IUPAC2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one
SMILESO=c1ccon1CC1CCOC1
InChIInChI=1S/C8H11NO3/c10-8-2-4-12-9(8)5-7-1-3-11-6-7/h2,4,7H,1,3,5-6H2
InChIKeyKFUQQUIYFXIAOQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.48
Rot. Bonds2

About 2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one

2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one (PubChem CID 130614201) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one
PubChem CID130614201
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one
SMILESO=c1ccon1CC1CCOC1
InChIInChI=1S/C8H11NO3/c10-8-2-4-12-9(8)5-7-1-3-11-6-7/h2,4,7H,1,3,5-6H2
InChIKeyKFUQQUIYFXIAOQ-UHFFFAOYSA-N
XLogP0.48
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-3-ylmethyl)pyrrolidin-3-one
CID 62823822
3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117206200
2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde
CID 121208404
1-(oxolan-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909620
4-(oxolan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 75368885
4-[[(3S)-oxolan-3-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 97210991
3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
CID 94025623
2-(chloromethyl)-1,2-oxazol-3-one
CID 67709553
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 66559053
2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 127863676
4-(hydroxymethyl)-3-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102357

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one?
The IUPAC name of 2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one (CID 130614201) is 2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one is O=c1ccon1CC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one?
The InChIKey is KFUQQUIYFXIAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-8-2-4-12-9(8)5-7-1-3-11-6-7/h2,4,7H,1,3,5-6H2.
What are the key properties of 2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one?
2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one has a molecular weight of 169.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-1,2-oxazol-3-one is sourced from PubChem (CID 130614201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).