ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate

C14H13Br2NO3 — CID 114370765

IUPACethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cc(Br)ccc2Br)nc1CC
InChIInChI=1S/C14H13Br2NO3/c1-3-11-12(14(18)19-4-2)20-13(17-11)9-7-8(15)5-6-10(9)16/h5-7H,3-4H2,1-2H3
InChIKeyWWPKUXKOPTZLQW-UHFFFAOYSA-N
MW403.07 g/mol
LogP4.61
Rot. Bonds4

About ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate

ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate (PubChem CID 114370765) has the molecular formula C14H13Br2NO3 and a molecular weight of 403.07 g/mol. Its IUPAC name is ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
PubChem CID114370765
Molecular FormulaC14H13Br2NO3
Molecular Weight403.07 g/mol
Exact Mass400.93
IUPAC Nameethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cc(Br)ccc2Br)nc1CC
InChIInChI=1S/C14H13Br2NO3/c1-3-11-12(14(18)19-4-2)20-13(17-11)9-7-8(15)5-6-10(9)16/h5-7H,3-4H2,1-2H3
InChIKeyWWPKUXKOPTZLQW-UHFFFAOYSA-N
XLogP4.61
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.07
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842772
ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
CID 104842583
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
2-(5-bromo-2-chlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459743
ethyl 2-(5-bromo-2-fluorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371392
ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114823849
2-(4-bromo-2-methoxyphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842557
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107942073
ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 107984229
ethyl 4-ethyl-2-(3-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 104842760
ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007439

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate (CID 114370765) is ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2cc(Br)ccc2Br)nc1CC.
What is the InChIKey of ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The InChIKey is WWPKUXKOPTZLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO3/c1-3-11-12(14(18)19-4-2)20-13(17-11)9-7-8(15)5-6-10(9)16/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate?
ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate has a molecular weight of 403.07 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114370765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).