4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole

C11H9BrClNO — CID 107101359

IUPAC4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
SMILESCc1c(Cl)cccc1-c1ocnc1CBr
InChIInChI=1S/C11H9BrClNO/c1-7-8(3-2-4-9(7)13)11-10(5-12)14-6-15-11/h2-4,6H,5H2,1H3
InChIKeyDYVCPLLJQBKOIY-UHFFFAOYSA-N
MW286.56 g/mol
LogP4.20
Rot. Bonds2

About 4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole

4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole (PubChem CID 107101359) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
PubChem CID107101359
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
SMILESCc1c(Cl)cccc1-c1ocnc1CBr
InChIInChI=1S/C11H9BrClNO/c1-7-8(3-2-4-9(7)13)11-10(5-12)14-6-15-11/h2-4,6H,5H2,1H3
InChIKeyDYVCPLLJQBKOIY-UHFFFAOYSA-N
XLogP4.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 54.20
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)-5-(3-chloro-2-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole (CID 107101359) is 4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole is Cc1c(Cl)cccc1-c1ocnc1CBr.
What is the InChIKey of 4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole?
The InChIKey is DYVCPLLJQBKOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c1-7-8(3-2-4-9(7)13)11-10(5-12)14-6-15-11/h2-4,6H,5H2,1H3.
What are the key properties of 4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole?
4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole has a molecular weight of 286.56 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 107101359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).