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

C10H8BrNO3 — CID 117186731

IUPAC3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol
SMILESOc1cccc(OCc2nc(Br)co2)c1
InChIInChI=1S/C10H8BrNO3/c11-9-5-15-10(12-9)6-14-8-3-1-2-7(13)4-8/h1-5,13H,6H2
InChIKeyNBZZACUQPJUQAB-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.72
Rot. Bonds3

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

3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol (PubChem CID 117186731) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol
PubChem CID117186731
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol
SMILESOc1cccc(OCc2nc(Br)co2)c1
InChIInChI=1S/C10H8BrNO3/c11-9-5-15-10(12-9)6-14-8-3-1-2-7(13)4-8/h1-5,13H,6H2
InChIKeyNBZZACUQPJUQAB-UHFFFAOYSA-N
XLogP2.72
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol
CID 117188907
2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
CID 117186722
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517
3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117177645
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472
3-[(2-amino-1,3-oxazol-5-yl)methoxy]phenol
CID 117192267
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187072
2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid
CID 82128961
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
3-[(6-amino-2-pyridinyl)methoxy]phenol
CID 105469629

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol?
The IUPAC name of 3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol (CID 117186731) is 3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol.
What is the SMILES notation for 3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol?
The canonical SMILES for 3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol is Oc1cccc(OCc2nc(Br)co2)c1.
What is the InChIKey of 3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol?
The InChIKey is NBZZACUQPJUQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c11-9-5-15-10(12-9)6-14-8-3-1-2-7(13)4-8/h1-5,13H,6H2.
What are the key properties of 3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol?
3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol has a molecular weight of 270.08 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol is sourced from PubChem (CID 117186731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).