ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate

C15H16BrNO3 — CID 59096930

IUPACethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate
SMILESCCOC(=O)C(Cc1ccc(Br)cc1)c1cc(C)on1
InChIInChI=1S/C15H16BrNO3/c1-3-19-15(18)13(14-8-10(2)20-17-14)9-11-4-6-12(16)7-5-11/h4-8,13H,3,9H2,1-2H3
InChIKeyWMNDEXSWLDAQCO-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.63
Rot. Bonds5

About ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate

ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate (PubChem CID 59096930) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate
PubChem CID59096930
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Nameethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate
SMILESCCOC(=O)C(Cc1ccc(Br)cc1)c1cc(C)on1
InChIInChI=1S/C15H16BrNO3/c1-3-19-15(18)13(14-8-10(2)20-17-14)9-11-4-6-12(16)7-5-11/h4-8,13H,3,9H2,1-2H3
InChIKeyWMNDEXSWLDAQCO-UHFFFAOYSA-N
XLogP3.63
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857
diethyl 2-[(4-bromophenyl)methyl]propanedioate
CID 10860456
ethyl 2-(4-bromophenyl)butanoate
CID 57082745
ethyl (3R)-3-amino-4-(4-bromophenyl)butanoate
CID 59607859
ethyl 2-(4-bromo-2-pyridinyl)butanoate
CID 163270998
ethyl (4R)-4-amino-5-(4-bromophenyl)-2-hydroxypentanoate
CID 126659714
ethyl 2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 79474742
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
ethyl 2-[5-[(2S)-1-(4-bromophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]acetate
CID 161350099
ethyl (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-bromophenyl)propanoate
CID 2235629
diethyl 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]propanedioate
CID 15711983
1-O-[(4-bromophenyl)methyl] 3-O-ethyl 2-ethylpropanedioate
CID 174418589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate?
The IUPAC name of ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate (CID 59096930) is ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate?
The canonical SMILES for ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate is CCOC(=O)C(Cc1ccc(Br)cc1)c1cc(C)on1.
What is the InChIKey of ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate?
The InChIKey is WMNDEXSWLDAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-3-19-15(18)13(14-8-10(2)20-17-14)9-11-4-6-12(16)7-5-11/h4-8,13H,3,9H2,1-2H3.
What are the key properties of ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate?
ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate has a molecular weight of 338.20 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)propanoate is sourced from PubChem (CID 59096930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).