2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole

C11H9BrClNO — CID 57270447

IUPAC2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole
SMILESClCCc1cnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H9BrClNO/c12-9-3-1-8(2-4-9)11-14-7-10(15-11)5-6-13/h1-4,7H,5-6H2
InChIKeyZDLSLTCZGGQHHA-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.89
Rot. Bonds3

About 2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole

2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole (PubChem CID 57270447) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole
PubChem CID57270447
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole
SMILESClCCc1cnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H9BrClNO/c12-9-3-1-8(2-4-9)11-14-7-10(15-11)5-6-13/h1-4,7H,5-6H2
InChIKeyZDLSLTCZGGQHHA-UHFFFAOYSA-N
XLogP3.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
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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Related Compounds

2-[2-(4-bromophenyl)-1,3-oxazol-5-yl]ethanol
CID 115087329
2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole
CID 57045867
1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087389
5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 121205083
5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 2798251
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003028
2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 57076907
[2-(4-fluorophenyl)-1,3-oxazol-5-yl]methanamine
CID 82075704
2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole
CID 57027441
5-(2,2-dimethylpropyl)-2-(4-nitrophenyl)-1,3-oxazole
CID 172704457

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole?
The IUPAC name of 2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole (CID 57270447) is 2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole is ClCCc1cnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole?
The InChIKey is ZDLSLTCZGGQHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c12-9-3-1-8(2-4-9)11-14-7-10(15-11)5-6-13/h1-4,7H,5-6H2.
What are the key properties of 2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole?
2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole has a molecular weight of 286.56 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole is sourced from PubChem (CID 57270447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).