methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate

C11H8BrNO3 — CID 57362719

IUPACmethyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2Br)on1
InChIInChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-4-2-3-5-8(7)12/h2-6H,1H3
InChIKeyCZIAHSKBAVGONL-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.89
Rot. Bonds2

About methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate

methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate (PubChem CID 57362719) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
PubChem CID57362719
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Namemethyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2Br)on1
InChIInChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-4-2-3-5-8(7)12/h2-6H,1H3
InChIKeyCZIAHSKBAVGONL-UHFFFAOYSA-N
XLogP2.89
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
methyl 5-pyrimidin-2-yl-1,2-oxazole-3-carboxylate
CID 154791640
methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
methyl 5-(3,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 154791625
(2-bromophenyl) 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 17011718
aminooxidanium;methanol;methyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate;methyl 5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxylate;hydrochloride
CID 158523528
5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide
CID 136575695
methyl 5-(4-methylsulfanylphenyl)-1,2-oxazole-3-carboxylate
CID 82627852
methyl 5-(2-bromophenyl)thiophene-2-carboxylate
CID 117222348
methyl 5-(2-bromophenyl)-1H-pyrrole-2-carboxylate
CID 117222354

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate (CID 57362719) is methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccccc2Br)on1.
What is the InChIKey of methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is CZIAHSKBAVGONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-4-2-3-5-8(7)12/h2-6H,1H3.
What are the key properties of methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate?
methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 282.09 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 57362719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).