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

C6H9NO3 — CID 19958730

IUPAC[5-(methoxymethyl)-1,2-oxazol-3-yl]methanol
SMILESCOCc1cc(CO)no1
InChIInChI=1S/C6H9NO3/c1-9-4-6-2-5(3-8)7-10-6/h2,8H,3-4H2,1H3
InChIKeyCTVKFHLSTYWQLY-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.31
Rot. Bonds3

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

[5-(methoxymethyl)-1,2-oxazol-3-yl]methanol (PubChem CID 19958730) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is [5-(methoxymethyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(methoxymethyl)-1,2-oxazol-3-yl]methanol
PubChem CID19958730
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name[5-(methoxymethyl)-1,2-oxazol-3-yl]methanol
SMILESCOCc1cc(CO)no1
InChIInChI=1S/C6H9NO3/c1-9-4-6-2-5(3-8)7-10-6/h2,8H,3-4H2,1H3
InChIKeyCTVKFHLSTYWQLY-UHFFFAOYSA-N
XLogP0.31
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanol (CID 19958730) is [5-(methoxymethyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(methoxymethyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(methoxymethyl)-1,2-oxazol-3-yl]methanol is COCc1cc(CO)no1.
What is the InChIKey of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is CTVKFHLSTYWQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-9-4-6-2-5(3-8)7-10-6/h2,8H,3-4H2,1H3.
What are the key properties of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanol?
[5-(methoxymethyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 143.14 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 19958730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).