5-(4-bromophenyl)-3-methyl-1,2-oxazole

C10H8BrNO — CID 21034016

IUPAC5-(4-bromophenyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C10H8BrNO/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKeyAKCVUKKYCZTWKS-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.41
Rot. Bonds1

About 5-(4-bromophenyl)-3-methyl-1,2-oxazole

5-(4-bromophenyl)-3-methyl-1,2-oxazole (PubChem CID 21034016) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methyl-1,2-oxazole
PubChem CID21034016
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name5-(4-bromophenyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C10H8BrNO/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKeyAKCVUKKYCZTWKS-UHFFFAOYSA-N
XLogP3.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(4-bromophenyl)-3-methyl-1,2-oxazole (CID 21034016) is 5-(4-bromophenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-3-methyl-1,2-oxazole is Cc1cc(-c2ccc(Br)cc2)on1.
What is the InChIKey of 5-(4-bromophenyl)-3-methyl-1,2-oxazole?
The InChIKey is AKCVUKKYCZTWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3.
What are the key properties of 5-(4-bromophenyl)-3-methyl-1,2-oxazole?
5-(4-bromophenyl)-3-methyl-1,2-oxazole has a molecular weight of 238.08 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 21034016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).