2-(oxan-4-yl)-1,3-oxazole

C8H11NO2 — CID 90123376

IUPAC2-(oxan-4-yl)-1,3-oxazole
SMILESc1coc(C2CCOCC2)n1
InChIInChI=1S/C8H11NO2/c1-4-10-5-2-7(1)8-9-3-6-11-8/h3,6-7H,1-2,4-5H2
InChIKeyDMHXKOMRFHPXDX-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.57
Rot. Bonds1

About 2-(oxan-4-yl)-1,3-oxazole

2-(oxan-4-yl)-1,3-oxazole (PubChem CID 90123376) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(oxan-4-yl)-1,3-oxazole
PubChem CID90123376
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(oxan-4-yl)-1,3-oxazole
SMILESc1coc(C2CCOCC2)n1
InChIInChI=1S/C8H11NO2/c1-4-10-5-2-7(1)8-9-3-6-11-8/h3,6-7H,1-2,4-5H2
InChIKeyDMHXKOMRFHPXDX-UHFFFAOYSA-N
XLogP1.57
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1,3-oxazole?
The IUPAC name of 2-(oxan-4-yl)-1,3-oxazole (CID 90123376) is 2-(oxan-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-(oxan-4-yl)-1,3-oxazole?
The canonical SMILES for 2-(oxan-4-yl)-1,3-oxazole is c1coc(C2CCOCC2)n1.
What is the InChIKey of 2-(oxan-4-yl)-1,3-oxazole?
The InChIKey is DMHXKOMRFHPXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-10-5-2-7(1)8-9-3-6-11-8/h3,6-7H,1-2,4-5H2.
What are the key properties of 2-(oxan-4-yl)-1,3-oxazole?
2-(oxan-4-yl)-1,3-oxazole has a molecular weight of 153.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1,3-oxazole is sourced from PubChem (CID 90123376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).