4-[(2-bromophenoxy)methyl]-1,2-oxazole

C10H8BrNO2 — CID 60871511

IUPAC4-[(2-bromophenoxy)methyl]-1,2-oxazole
SMILESBrc1ccccc1OCc1cnoc1
InChIInChI=1S/C10H8BrNO2/c11-9-3-1-2-4-10(9)13-6-8-5-12-14-7-8/h1-5,7H,6H2
InChIKeyORKCMMYWRKJXKD-UHFFFAOYSA-N
MW254.08 g/mol
LogP3.02
Rot. Bonds3

About 4-[(2-bromophenoxy)methyl]-1,2-oxazole

4-[(2-bromophenoxy)methyl]-1,2-oxazole (PubChem CID 60871511) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-1,2-oxazole
PubChem CID60871511
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name4-[(2-bromophenoxy)methyl]-1,2-oxazole
SMILESBrc1ccccc1OCc1cnoc1
InChIInChI=1S/C10H8BrNO2/c11-9-3-1-2-4-10(9)13-6-8-5-12-14-7-8/h1-5,7H,6H2
InChIKeyORKCMMYWRKJXKD-UHFFFAOYSA-N
XLogP3.02
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505
4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole
CID 54910825
4-[(2-nitrophenoxy)methyl]-1,2-oxazole
CID 71413295
4-[(4-fluorophenoxy)methyl]-1,2-oxazole
CID 61227729
5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62194637
[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 63887682
1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate
CID 61323491
4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 60870347
4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine
CID 117190937
1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54928874
[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320802
3-amino-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 61388584

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-1,2-oxazole?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-1,2-oxazole (CID 60871511) is 4-[(2-bromophenoxy)methyl]-1,2-oxazole.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-1,2-oxazole?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-1,2-oxazole is Brc1ccccc1OCc1cnoc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-1,2-oxazole?
The InChIKey is ORKCMMYWRKJXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-9-3-1-2-4-10(9)13-6-8-5-12-14-7-8/h1-5,7H,6H2.
What are the key properties of 4-[(2-bromophenoxy)methyl]-1,2-oxazole?
4-[(2-bromophenoxy)methyl]-1,2-oxazole has a molecular weight of 254.08 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-1,2-oxazole is sourced from PubChem (CID 60871511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).