3-(oxolan-3-yl)-1,2-oxazole

C7H9NO2 — CID 114763668

IUPAC3-(oxolan-3-yl)-1,2-oxazole
SMILESc1cc(C2CCOC2)no1
InChIInChI=1S/C7H9NO2/c1-3-9-5-6(1)7-2-4-10-8-7/h2,4,6H,1,3,5H2
InChIKeyUIIREUPCCCHSSM-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.18
Rot. Bonds1

About 3-(oxolan-3-yl)-1,2-oxazole

3-(oxolan-3-yl)-1,2-oxazole (PubChem CID 114763668) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-1,2-oxazole
PubChem CID114763668
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-(oxolan-3-yl)-1,2-oxazole
SMILESc1cc(C2CCOC2)no1
InChIInChI=1S/C7H9NO2/c1-3-9-5-6(1)7-2-4-10-8-7/h2,4,6H,1,3,5H2
InChIKeyUIIREUPCCCHSSM-UHFFFAOYSA-N
XLogP1.18
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-1,2-oxazole?
The IUPAC name of 3-(oxolan-3-yl)-1,2-oxazole (CID 114763668) is 3-(oxolan-3-yl)-1,2-oxazole.
What is the SMILES notation for 3-(oxolan-3-yl)-1,2-oxazole?
The canonical SMILES for 3-(oxolan-3-yl)-1,2-oxazole is c1cc(C2CCOC2)no1.
What is the InChIKey of 3-(oxolan-3-yl)-1,2-oxazole?
The InChIKey is UIIREUPCCCHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-9-5-6(1)7-2-4-10-8-7/h2,4,6H,1,3,5H2.
What are the key properties of 3-(oxolan-3-yl)-1,2-oxazole?
3-(oxolan-3-yl)-1,2-oxazole has a molecular weight of 139.15 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-1,2-oxazole is sourced from PubChem (CID 114763668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).