5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole

C12H12BrNO2 — CID 71239799

IUPAC5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole
SMILESCC(C)Oc1cc(Br)cc(-c2cnco2)c1
InChIInChI=1S/C12H12BrNO2/c1-8(2)16-11-4-9(3-10(13)5-11)12-6-14-7-15-12/h3-8H,1-2H3
InChIKeyGOHDTTAWMAMIKT-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.89
Rot. Bonds3

About 5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole

5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole (PubChem CID 71239799) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole
PubChem CID71239799
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole
SMILESCC(C)Oc1cc(Br)cc(-c2cnco2)c1
InChIInChI=1S/C12H12BrNO2/c1-8(2)16-11-4-9(3-10(13)5-11)12-6-14-7-15-12/h3-8H,1-2H3
InChIKeyGOHDTTAWMAMIKT-UHFFFAOYSA-N
XLogP3.89
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole (CID 71239799) is 5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole is CC(C)Oc1cc(Br)cc(-c2cnco2)c1.
What is the InChIKey of 5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole?
The InChIKey is GOHDTTAWMAMIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-8(2)16-11-4-9(3-10(13)5-11)12-6-14-7-15-12/h3-8H,1-2H3.
What are the key properties of 5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole?
5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole has a molecular weight of 282.14 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole is sourced from PubChem (CID 71239799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).