5-(4-bromo-2-ethylphenyl)-1,3-oxazole

C11H10BrNO — CID 146035075

IUPAC5-(4-bromo-2-ethylphenyl)-1,3-oxazole
SMILESCCc1cc(Br)ccc1-c1cnco1
InChIInChI=1S/C11H10BrNO/c1-2-8-5-9(12)3-4-10(8)11-6-13-7-14-11/h3-7H,2H2,1H3
InChIKeyYODZFWQRFXORMA-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.67
Rot. Bonds2

About 5-(4-bromo-2-ethylphenyl)-1,3-oxazole

5-(4-bromo-2-ethylphenyl)-1,3-oxazole (PubChem CID 146035075) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-(4-bromo-2-ethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-bromo-2-ethylphenyl)-1,3-oxazole
PubChem CID146035075
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name5-(4-bromo-2-ethylphenyl)-1,3-oxazole
SMILESCCc1cc(Br)ccc1-c1cnco1
InChIInChI=1S/C11H10BrNO/c1-2-8-5-9(12)3-4-10(8)11-6-13-7-14-11/h3-7H,2H2,1H3
InChIKeyYODZFWQRFXORMA-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-ethylphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-bromo-2-ethylphenyl)-1,3-oxazole (CID 146035075) is 5-(4-bromo-2-ethylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-bromo-2-ethylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-bromo-2-ethylphenyl)-1,3-oxazole is CCc1cc(Br)ccc1-c1cnco1.
What is the InChIKey of 5-(4-bromo-2-ethylphenyl)-1,3-oxazole?
The InChIKey is YODZFWQRFXORMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-2-8-5-9(12)3-4-10(8)11-6-13-7-14-11/h3-7H,2H2,1H3.
What are the key properties of 5-(4-bromo-2-ethylphenyl)-1,3-oxazole?
5-(4-bromo-2-ethylphenyl)-1,3-oxazole has a molecular weight of 252.11 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-ethylphenyl)-1,3-oxazole is sourced from PubChem (CID 146035075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).