3-bromo-5-(methoxymethyl)-1,2-oxazole

C5H6BrNO2 — CID 52951005

IUPAC3-bromo-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(Br)no1
InChIInChI=1S/C5H6BrNO2/c1-8-3-4-2-5(6)7-9-4/h2H,3H2,1H3
InChIKeyPXHOIDXCRSJZCB-UHFFFAOYSA-N
MW192.01 g/mol
LogP1.58
Rot. Bonds2

About 3-bromo-5-(methoxymethyl)-1,2-oxazole

3-bromo-5-(methoxymethyl)-1,2-oxazole (PubChem CID 52951005) has the molecular formula C5H6BrNO2 and a molecular weight of 192.01 g/mol. Its IUPAC name is 3-bromo-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-(methoxymethyl)-1,2-oxazole
PubChem CID52951005
Molecular FormulaC5H6BrNO2
Molecular Weight192.01 g/mol
Exact Mass190.96
IUPAC Name3-bromo-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(Br)no1
InChIInChI=1S/C5H6BrNO2/c1-8-3-4-2-5(6)7-9-4/h2H,3H2,1H3
InChIKeyPXHOIDXCRSJZCB-UHFFFAOYSA-N
XLogP1.58
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.01
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-bromo-5-(methoxymethyl)-1,2-oxazole (CID 52951005) is 3-bromo-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-bromo-5-(methoxymethyl)-1,2-oxazole is COCc1cc(Br)no1.
What is the InChIKey of 3-bromo-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is PXHOIDXCRSJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO2/c1-8-3-4-2-5(6)7-9-4/h2H,3H2,1H3.
What are the key properties of 3-bromo-5-(methoxymethyl)-1,2-oxazole?
3-bromo-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 192.01 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 52951005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).