2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol

C11H10BrNO3 — CID 653289

IUPAC2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol
SMILESCc1onc(COc2ccccc2O)c1Br
InChIInChI=1S/C11H10BrNO3/c1-7-11(12)8(13-16-7)6-15-10-5-3-2-4-9(10)14/h2-5,14H,6H2,1H3
InChIKeyMENYNAYHHQPUFN-UHFFFAOYSA-N
MW284.11 g/mol
LogP3.03
Rot. Bonds3

About 2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol

2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol (PubChem CID 653289) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol
PubChem CID653289
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol
SMILESCc1onc(COc2ccccc2O)c1Br
InChIInChI=1S/C11H10BrNO3/c1-7-11(12)8(13-16-7)6-15-10-5-3-2-4-9(10)14/h2-5,14H,6H2,1H3
InChIKeyMENYNAYHHQPUFN-UHFFFAOYSA-N
XLogP3.03
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol?
The IUPAC name of 2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol (CID 653289) is 2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol.
What is the SMILES notation for 2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol?
The canonical SMILES for 2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol is Cc1onc(COc2ccccc2O)c1Br.
What is the InChIKey of 2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol?
The InChIKey is MENYNAYHHQPUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-7-11(12)8(13-16-7)6-15-10-5-3-2-4-9(10)14/h2-5,14H,6H2,1H3.
What are the key properties of 2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol?
2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol has a molecular weight of 284.11 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methoxy]phenol is sourced from PubChem (CID 653289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).