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

C11H11BrFNO — CID 14002106

IUPAC2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cc(F)ccc2Br)=N1
InChIInChI=1S/C11H11BrFNO/c1-11(2)6-15-10(14-11)8-5-7(13)3-4-9(8)12/h3-5H,6H2,1-2H3
InChIKeyOPFDSFKGFHTTGA-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.14
Rot. Bonds1

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

2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 14002106) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID14002106
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cc(F)ccc2Br)=N1
InChIInChI=1S/C11H11BrFNO/c1-11(2)6-15-10(14-11)8-5-7(13)3-4-9(8)12/h3-5H,6H2,1-2H3
InChIKeyOPFDSFKGFHTTGA-UHFFFAOYSA-N
XLogP3.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
2-(2-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 289296
2-(3-Bromophenyl)-4,5-dihydro-1,3-oxazole
CID 11160469
2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole
CID 403395
(4S)-2-(4-bromophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756866
2-(4-Bromophenyl)-4,5-dihydro-1,3-oxazole
CID 793775
2-(2-Bromophenyl)-4,5-dihydrooxazole
CID 12793313
2-(3-Bromophenyl)-4,5-dihydro-4,4-dimethyloxazole
CID 12853043
2-[2-bromo-3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-oxazole
CID 395336
2-Bromo-5-fluorobenzyl alcohol, n-butyl ether
CID 91730105
2-Bromo-5-fluorobenzyl alcohol, n-propyl ether
CID 91730106

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 14002106) is 2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cc(F)ccc2Br)=N1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is OPFDSFKGFHTTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-11(2)6-15-10(14-11)8-5-7(13)3-4-9(8)12/h3-5H,6H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 272.12 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 14002106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).