4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole

C11H11BrClNO — CID 67522532

IUPAC4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1OC(c2ccc(Cl)cc2)=NC1CBr
InChIInChI=1S/C11H11BrClNO/c1-7-10(6-12)14-11(15-7)8-2-4-9(13)5-3-8/h2-5,7,10H,6H2,1H3
InChIKeyKTGFUYVUNIFWLY-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.27
Rot. Bonds2

About 4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole

4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 67522532) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
PubChem CID67522532
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1OC(c2ccc(Cl)cc2)=NC1CBr
InChIInChI=1S/C11H11BrClNO/c1-7-10(6-12)14-11(15-7)8-2-4-9(13)5-3-8/h2-5,7,10H,6H2,1H3
InChIKeyKTGFUYVUNIFWLY-UHFFFAOYSA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole (CID 67522532) is 4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole is CC1OC(c2ccc(Cl)cc2)=NC1CBr.
What is the InChIKey of 4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is KTGFUYVUNIFWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-7-10(6-12)14-11(15-7)8-2-4-9(13)5-3-8/h2-5,7,10H,6H2,1H3.
What are the key properties of 4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 288.57 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 67522532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).