4,5-bis(methoxymethyl)-1,2-oxazole

C7H11NO3 — CID 142037021

IUPAC4,5-bis(methoxymethyl)-1,2-oxazole
SMILESCOCc1cnoc1COC
InChIInChI=1S/C7H11NO3/c1-9-4-6-3-8-11-7(6)5-10-2/h3H,4-5H2,1-2H3
InChIKeyXCOGUNBCPMIQQI-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.97
Rot. Bonds4

About 4,5-bis(methoxymethyl)-1,2-oxazole

4,5-bis(methoxymethyl)-1,2-oxazole (PubChem CID 142037021) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4,5-bis(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name4,5-bis(methoxymethyl)-1,2-oxazole
PubChem CID142037021
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4,5-bis(methoxymethyl)-1,2-oxazole
SMILESCOCc1cnoc1COC
InChIInChI=1S/C7H11NO3/c1-9-4-6-3-8-11-7(6)5-10-2/h3H,4-5H2,1-2H3
InChIKeyXCOGUNBCPMIQQI-UHFFFAOYSA-N
XLogP0.97
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(methoxymethyl)-1,2-oxazole?
The IUPAC name of 4,5-bis(methoxymethyl)-1,2-oxazole (CID 142037021) is 4,5-bis(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 4,5-bis(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 4,5-bis(methoxymethyl)-1,2-oxazole is COCc1cnoc1COC.
What is the InChIKey of 4,5-bis(methoxymethyl)-1,2-oxazole?
The InChIKey is XCOGUNBCPMIQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-9-4-6-3-8-11-7(6)5-10-2/h3H,4-5H2,1-2H3.
What are the key properties of 4,5-bis(methoxymethyl)-1,2-oxazole?
4,5-bis(methoxymethyl)-1,2-oxazole has a molecular weight of 157.17 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 142037021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).