ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate

C14H12BrF2NO3 — CID 104842772

IUPACethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2c(F)cc(Br)cc2F)nc1CC
InChIInChI=1S/C14H12BrF2NO3/c1-3-10-12(14(19)20-4-2)21-13(18-10)11-8(16)5-7(15)6-9(11)17/h5-6H,3-4H2,1-2H3
InChIKeyDQNXWYURFKSHSU-UHFFFAOYSA-N
MW360.15 g/mol
LogP4.12
Rot. Bonds4

About ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate

ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate (PubChem CID 104842772) has the molecular formula C14H12BrF2NO3 and a molecular weight of 360.15 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
PubChem CID104842772
Molecular FormulaC14H12BrF2NO3
Molecular Weight360.15 g/mol
Exact Mass359.00
IUPAC Nameethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2c(F)cc(Br)cc2F)nc1CC
InChIInChI=1S/C14H12BrF2NO3/c1-3-10-12(14(19)20-4-2)21-13(18-10)11-8(16)5-7(15)6-9(11)17/h5-6H,3-4H2,1-2H3
InChIKeyDQNXWYURFKSHSU-UHFFFAOYSA-N
XLogP4.12
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 114370765
ethyl 5-(4-bromo-2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619311
ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114823849
ethyl 2-(2,6-difluorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371360
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
CID 104842583
ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate
CID 70977027
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
ethyl 2-(3-bromo-5-fluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199161
ethyl 4-ethyl-2-(3-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 104842760
ethyl 2-(5-bromo-2-fluorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371392
2-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459772

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate (CID 104842772) is ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2c(F)cc(Br)cc2F)nc1CC.
What is the InChIKey of ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The InChIKey is DQNXWYURFKSHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO3/c1-3-10-12(14(19)20-4-2)21-13(18-10)11-8(16)5-7(15)6-9(11)17/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate?
ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate has a molecular weight of 360.15 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 104842772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).