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

Analyze 3-(oxolan-3-yl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286
3-(1,2-oxazol-3-yl)morpholine
CID 82595372
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
CID 105469285
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799
[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol
CID 45099358
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
2-iodo-4-(oxolan-3-yl)-1,3-oxazole
CID 102974663
(3R)-3-phenyloxolane
CID 92859476
2-(oxolan-3-yl)pyridine-3,4-diamine
CID 129239595
ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole
CID 144669764
3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile
CID 172993518
(3R)-3-(4-bromophenyl)oxolane
CID 95731213

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).