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

C10H7BrClNO — CID 21369

IUPAC5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(CBr)on2)cc1
InChIInChI=1S/C10H7BrClNO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-5H,6H2
InChIKeyYGCXXYLQISERCR-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.89
Rot. Bonds2

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

5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole (PubChem CID 21369) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole
PubChem CID21369
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(CBr)on2)cc1
InChIInChI=1S/C10H7BrClNO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-5H,6H2
InChIKeyYGCXXYLQISERCR-UHFFFAOYSA-N
XLogP3.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.89
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 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole?
The IUPAC name of 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole (CID 21369) is 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole?
The canonical SMILES for 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole is Clc1ccc(-c2cc(CBr)on2)cc1.
What is the InChIKey of 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole?
The InChIKey is YGCXXYLQISERCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-5H,6H2.
What are the key properties of 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole?
5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole has a molecular weight of 272.53 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole is sourced from PubChem (CID 21369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).