5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole

C12H11BrClNO — CID 69123329

IUPAC5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(-c2ccccc2Cl)c(Br)o1
InChIInChI=1S/C12H11BrClNO/c1-7(2)12-15-10(11(13)16-12)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyBJCWNYPQFFPXFH-UHFFFAOYSA-N
MW300.58 g/mol
LogP4.88
Rot. Bonds2

About 5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole

5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole (PubChem CID 69123329) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is 5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole
PubChem CID69123329
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(-c2ccccc2Cl)c(Br)o1
InChIInChI=1S/C12H11BrClNO/c1-7(2)12-15-10(11(13)16-12)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyBJCWNYPQFFPXFH-UHFFFAOYSA-N
XLogP4.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole (CID 69123329) is 5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(-c2ccccc2Cl)c(Br)o1.
What is the InChIKey of 5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is BJCWNYPQFFPXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c1-7(2)12-15-10(11(13)16-12)8-5-3-4-6-9(8)14/h3-7H,1-2H3.
What are the key properties of 5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole?
5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole has a molecular weight of 300.58 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-chlorophenyl)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 69123329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).