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

C7H8BrNO3 — CID 12785854

IUPACethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(Br)nc1C
InChIInChI=1S/C7H8BrNO3/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3
InChIKeyDNPOJRGNNVJCRZ-UHFFFAOYSA-N
MW234.05 g/mol
LogP1.92
Rot. Bonds2

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

ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 12785854) has the molecular formula C7H8BrNO3 and a molecular weight of 234.05 g/mol. Its IUPAC name is ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate
PubChem CID12785854
Molecular FormulaC7H8BrNO3
Molecular Weight234.05 g/mol
Exact Mass232.97
IUPAC Nameethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(Br)nc1C
InChIInChI=1S/C7H8BrNO3/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3
InChIKeyDNPOJRGNNVJCRZ-UHFFFAOYSA-N
XLogP1.92
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-methyloxazole-5-carboxylate
CID 88558
Ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
CID 315151
2-Ethyl-4-methyl-1,3-oxazole-5-carboxylic acid
CID 13835298
Ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate
CID 12753431
Ethyl 2-bromo-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 53403202
Ethyl 4-(bromomethyl)-1,3-oxazole-5-carboxylate
CID 53404658
Ethyl 2-bromo-5-methyl-4-oxazolecarboxylate
CID 66524336
2-Bromo-4-methyl-1,3-oxazole-5-carboxylic acid
CID 70529178
Methyl 4-methyl-1,3-oxazole-5-carboxylate
CID 23423055
Ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 12981947
Lithium(1+) 2-bromo-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 146049764
Ethyl 2-(hydroxymethyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 155820046

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate (CID 12785854) is ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(Br)nc1C.
What is the InChIKey of ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is DNPOJRGNNVJCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3.
What are the key properties of ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate?
ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 234.05 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 12785854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).