[5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol

C9H13NO3 — CID 115094067

IUPAC[5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(C2CCCCO2)on1
InChIInChI=1S/C9H13NO3/c11-6-7-5-9(13-10-7)8-3-1-2-4-12-8/h5,8,11H,1-4,6H2
InChIKeyASTNXZNJVUMBEP-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.41
Rot. Bonds2

About [5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol

[5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol (PubChem CID 115094067) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is [5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol
PubChem CID115094067
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name[5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(C2CCCCO2)on1
InChIInChI=1S/C9H13NO3/c11-6-7-5-9(13-10-7)8-3-1-2-4-12-8/h5,8,11H,1-4,6H2
InChIKeyASTNXZNJVUMBEP-UHFFFAOYSA-N
XLogP1.41
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol (CID 115094067) is [5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol is OCc1cc(C2CCCCO2)on1.
What is the InChIKey of [5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol?
The InChIKey is ASTNXZNJVUMBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-6-7-5-9(13-10-7)8-3-1-2-4-12-8/h5,8,11H,1-4,6H2.
What are the key properties of [5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol?
[5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol has a molecular weight of 183.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 115094067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).