2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole

C11H11BrClNO — CID 123499622

IUPAC2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Cl)cc2Br)=N1
InChIInChI=1S/C11H11BrClNO/c1-11(2)6-15-10(14-11)8-4-3-7(13)5-9(8)12/h3-5H,6H2,1-2H3
InChIKeyTZAVLSXFJBAPES-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.66
Rot. Bonds1

About 2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 123499622) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID123499622
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Cl)cc2Br)=N1
InChIInChI=1S/C11H11BrClNO/c1-11(2)6-15-10(14-11)8-4-3-7(13)5-9(8)12/h3-5H,6H2,1-2H3
InChIKeyTZAVLSXFJBAPES-UHFFFAOYSA-N
XLogP3.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 289296
2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole
CID 403395
2-(4-Chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 639989
Oxazole, 2-(3-chlorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 10798476
2-(3-Bromophenyl)-4,5-dihydro-4,4-dimethyloxazole
CID 12853043
2-(2-Bromo-4-fluorophenyl)-4,4-dimethyl-4,5-dihydrooxazole
CID 59364380
2-(4-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
CID 24197369
2-(2-Chlorophenyl)-4,5-dihydro-4,4-dimethyloxazole
CID 639977
2-(4-Chlorophenyl)-4-ethyl-4,5-dihydrooxazole
CID 12034714
5-(Bromomethyl)-2-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole
CID 122403574
2-(3-Chloro-4-bromo-phenyl)-4,5-dihydro-oxazole
CID 134862606
2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 14002106

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 123499622) is 2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(Cl)cc2Br)=N1.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is TZAVLSXFJBAPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-11(2)6-15-10(14-11)8-4-3-7(13)5-9(8)12/h3-5H,6H2,1-2H3.
What are the key properties of 2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 288.57 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 123499622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).