1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol

C11H17NO3 — CID 115082429

IUPAC1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(CC2CCOCC2)n1
InChIInChI=1S/C11H17NO3/c1-8(13)10-7-15-11(12-10)6-9-2-4-14-5-3-9/h7-9,13H,2-6H2,1H3
InChIKeyRHMPHAXIQNQUOL-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol

1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol (PubChem CID 115082429) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
PubChem CID115082429
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(CC2CCOCC2)n1
InChIInChI=1S/C11H17NO3/c1-8(13)10-7-15-11(12-10)6-9-2-4-14-5-3-9/h7-9,13H,2-6H2,1H3
InChIKeyRHMPHAXIQNQUOL-UHFFFAOYSA-N
XLogP1.70
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115083355
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082297
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082353
1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115083037
2-(oxan-4-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082568
2-(oxan-4-ylmethyl)-1,3-oxazole-4-carbaldehyde
CID 115082442
1-[2-(piperidin-4-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082506
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115077254
1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082501
2-(oxan-4-ylmethyl)-1,3,4-oxadiazole
CID 141181283
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082555
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
CID 115082311

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol (CID 115082429) is 1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol is CC(O)c1coc(CC2CCOCC2)n1.
What is the InChIKey of 1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is RHMPHAXIQNQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(13)10-7-15-11(12-10)6-9-2-4-14-5-3-9/h7-9,13H,2-6H2,1H3.
What are the key properties of 1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol?
1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 211.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 115082429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).