4-bromo-5-methyl-2-phenyl-1,3-oxazole

C10H8BrNO — CID 11521541

IUPAC4-bromo-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1Br
InChIInChI=1S/C10H8BrNO/c1-7-9(11)12-10(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyKVWJQXNRVGWCKZ-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.41
Rot. Bonds1

About 4-bromo-5-methyl-2-phenyl-1,3-oxazole

4-bromo-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 11521541) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 4-bromo-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-5-methyl-2-phenyl-1,3-oxazole
PubChem CID11521541
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name4-bromo-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1Br
InChIInChI=1S/C10H8BrNO/c1-7-9(11)12-10(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyKVWJQXNRVGWCKZ-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 4-bromo-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-bromo-5-methyl-2-phenyl-1,3-oxazole (CID 11521541) is 4-bromo-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-bromo-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-bromo-5-methyl-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1Br.
What is the InChIKey of 4-bromo-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is KVWJQXNRVGWCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-7-9(11)12-10(13-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 4-bromo-5-methyl-2-phenyl-1,3-oxazole?
4-bromo-5-methyl-2-phenyl-1,3-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 4-bromo-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 11521541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).