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

C10H8BrNO — CID 12873107

IUPAC4-(4-bromophenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Br)cc2)co1
InChIInChI=1S/C10H8BrNO/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKeyKUNURROGBCFQQW-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.41
Rot. Bonds1

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

4-(4-bromophenyl)-2-methyl-1,3-oxazole (PubChem CID 12873107) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-methyl-1,3-oxazole
PubChem CID12873107
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name4-(4-bromophenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Br)cc2)co1
InChIInChI=1S/C10H8BrNO/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKeyKUNURROGBCFQQW-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-(4-bromophenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(4-bromophenyl)-2-methyl-1,3-oxazole (CID 12873107) is 4-(4-bromophenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(4-bromophenyl)-2-methyl-1,3-oxazole is Cc1nc(-c2ccc(Br)cc2)co1.
What is the InChIKey of 4-(4-bromophenyl)-2-methyl-1,3-oxazole?
The InChIKey is KUNURROGBCFQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3.
What are the key properties of 4-(4-bromophenyl)-2-methyl-1,3-oxazole?
4-(4-bromophenyl)-2-methyl-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-(4-bromophenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 12873107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).