ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate

C11H10BrNO4 — CID 139763006

IUPACethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1-c1ccc(Br)o1
InChIInChI=1S/C11H10BrNO4/c1-3-15-11(14)9-10(16-6(2)13-9)7-4-5-8(12)17-7/h4-5H,3H2,1-2H3
InChIKeyUHKSWNILPANDNS-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.18
Rot. Bonds3

About ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate

ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate (PubChem CID 139763006) has the molecular formula C11H10BrNO4 and a molecular weight of 300.11 g/mol. Its IUPAC name is ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate
PubChem CID139763006
Molecular FormulaC11H10BrNO4
Molecular Weight300.11 g/mol
Exact Mass298.98
IUPAC Nameethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1-c1ccc(Br)o1
InChIInChI=1S/C11H10BrNO4/c1-3-15-11(14)9-10(16-6(2)13-9)7-4-5-8(12)17-7/h4-5H,3H2,1-2H3
InChIKeyUHKSWNILPANDNS-UHFFFAOYSA-N
XLogP3.18
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115280369
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
CID 159620918
ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
CID 68802765
ethyl 5-(5-bromofuran-2-yl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
CID 53271253
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 101389640
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
methyl 5-(5-bromothiophen-2-yl)-2-methyl-1,3-oxazole-4-carboxylate
CID 139762939
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 112787993

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate (CID 139763006) is ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C)oc1-c1ccc(Br)o1.
What is the InChIKey of ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is UHKSWNILPANDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO4/c1-3-15-11(14)9-10(16-6(2)13-9)7-4-5-8(12)17-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate?
ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 300.11 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139763006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).