4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole

C12H11BrFNO — CID 115052084

IUPAC4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole
SMILESCCc1nc(-c2ccc(F)c(Br)c2)c(C)o1
InChIInChI=1S/C12H11BrFNO/c1-3-11-15-12(7(2)16-11)8-4-5-10(14)9(13)6-8/h4-6H,3H2,1-2H3
InChIKeyHBSRRURDCKIIGG-UHFFFAOYSA-N
MW284.13 g/mol
LogP4.11
Rot. Bonds2

About 4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole

4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole (PubChem CID 115052084) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole
PubChem CID115052084
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole
SMILESCCc1nc(-c2ccc(F)c(Br)c2)c(C)o1
InChIInChI=1S/C12H11BrFNO/c1-3-11-15-12(7(2)16-11)8-4-5-10(14)9(13)6-8/h4-6H,3H2,1-2H3
InChIKeyHBSRRURDCKIIGG-UHFFFAOYSA-N
XLogP4.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
CID 115047663
[4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine
CID 82283251
2-bromo-1-fluoro-4-(4-methylphenyl)benzene
CID 115049308
2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine
CID 82288890
5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 55048634
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82488398
4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine
CID 62083253
2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine
CID 82800968
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole
CID 107952886
2-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 82801601
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
CID 115049958

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole (CID 115052084) is 4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole is CCc1nc(-c2ccc(F)c(Br)c2)c(C)o1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole?
The InChIKey is HBSRRURDCKIIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-3-11-15-12(7(2)16-11)8-4-5-10(14)9(13)6-8/h4-6H,3H2,1-2H3.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole?
4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole has a molecular weight of 284.13 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole is sourced from PubChem (CID 115052084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).