3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole

C12H12BrNO3 — CID 66158008

IUPAC3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(COc2ccccc2Br)no1
InChIInChI=1S/C12H12BrNO3/c1-15-8-10-6-9(14-17-10)7-16-12-5-3-2-4-11(12)13/h2-6H,7-8H2,1H3
InChIKeyXQQZBXLPSFCXBK-UHFFFAOYSA-N
MW298.14 g/mol
LogP3.16
Rot. Bonds5

About 3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole

3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole (PubChem CID 66158008) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
PubChem CID66158008
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(COc2ccccc2Br)no1
InChIInChI=1S/C12H12BrNO3/c1-15-8-10-6-9(14-17-10)7-16-12-5-3-2-4-11(12)13/h2-6H,7-8H2,1H3
InChIKeyXQQZBXLPSFCXBK-UHFFFAOYSA-N
XLogP3.16
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole (CID 66158008) is 3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole is COCc1cc(COc2ccccc2Br)no1.
What is the InChIKey of 3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is XQQZBXLPSFCXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c1-15-8-10-6-9(14-17-10)7-16-12-5-3-2-4-11(12)13/h2-6H,7-8H2,1H3.
What are the key properties of 3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole?
3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 298.14 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 66158008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).