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

C11H10BrNO2 — CID 102492503

IUPAC3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole
SMILESBrc1cc(COCc2ccccc2)on1
InChIInChI=1S/C11H10BrNO2/c12-11-6-10(15-13-11)8-14-7-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyBSQKBPWNUHRZKS-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.15
Rot. Bonds4

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

3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole (PubChem CID 102492503) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole
PubChem CID102492503
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole
SMILESBrc1cc(COCc2ccccc2)on1
InChIInChI=1S/C11H10BrNO2/c12-11-6-10(15-13-11)8-14-7-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyBSQKBPWNUHRZKS-UHFFFAOYSA-N
XLogP3.15
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-1,2-oxazol-5-yl)methyl benzoate
CID 52951006
3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole
CID 10527502
5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 118536656
CID 66734377
CID 66734377
2-(phenylmethoxymethyl)-5-[5-(phenylmethoxymethyl)furan-2-yl]furan
CID 102127806
4-hydroxy-4-methoxy-1-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]butan-1-one
CID 149130193
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
ethane;phenylmethoxymethylbenzene
CID 90943549
5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole
CID 10766519
N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326078
N-[2-(oxolan-3-yl)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326031
dichloromethane;phenylmethoxymethylbenzene
CID 174530379

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole?
The IUPAC name of 3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole (CID 102492503) is 3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole is Brc1cc(COCc2ccccc2)on1.
What is the InChIKey of 3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole?
The InChIKey is BSQKBPWNUHRZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-11-6-10(15-13-11)8-14-7-9-4-2-1-3-5-9/h1-6H,7-8H2.
What are the key properties of 3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole?
3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole has a molecular weight of 268.11 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole is sourced from PubChem (CID 102492503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).