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

C14H14BrNO3 — CID 107984229

IUPACethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cccc(C)c2Br)nc1C
InChIInChI=1S/C14H14BrNO3/c1-4-18-14(17)12-9(3)16-13(19-12)10-7-5-6-8(2)11(10)15/h5-7H,4H2,1-3H3
InChIKeyZMKJPRBGTVBEDJ-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.90
Rot. Bonds3

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

ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 107984229) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
PubChem CID107984229
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Nameethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cccc(C)c2Br)nc1C
InChIInChI=1S/C14H14BrNO3/c1-4-18-14(17)12-9(3)16-13(19-12)10-7-5-6-8(2)11(10)15/h5-7H,4H2,1-3H3
InChIKeyZMKJPRBGTVBEDJ-UHFFFAOYSA-N
XLogP3.90
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-3-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 107984237
ethyl 2-(3-bromo-2-methylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199140
ethyl 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80538117
ethyl 2-(2,3-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199087
ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 66008471
ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate
CID 107975898
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
CID 23563116
ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 114370765
ethyl 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 81284241
ethyl 2-(3-chlorothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80641084
ethyl 2-(2-bromo-4-chlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 107995262
ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 102580283

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate (CID 107984229) is ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2cccc(C)c2Br)nc1C.
What is the InChIKey of ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is ZMKJPRBGTVBEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-4-18-14(17)12-9(3)16-13(19-12)10-7-5-6-8(2)11(10)15/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate?
ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 324.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 107984229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).