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

C11H8BrNO3 — CID 6426093

IUPACmethyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(-c2ccccc2)c1Br
InChIInChI=1S/C11H8BrNO3/c1-15-11(14)9-8(12)10(16-13-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyDHRDTTPZVUTSRL-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.89
Rot. Bonds2

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

methyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate (PubChem CID 6426093) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is methyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate
PubChem CID6426093
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Namemethyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(-c2ccccc2)c1Br
InChIInChI=1S/C11H8BrNO3/c1-15-11(14)9-8(12)10(16-13-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyDHRDTTPZVUTSRL-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

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CID 2771350
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CID 4355579
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CID 650706
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CID 4569957
CID 4569957
CID 28483
CID 28483
CID 776529
CID 776529
CID 776530
CID 776530
CID 44819364
CID 44819364
CID 71456437
CID 71456437
CID 9580934
CID 9580934
CID 3154111
CID 3154111

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate (CID 6426093) is methyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate is COC(=O)c1noc(-c2ccccc2)c1Br.
What is the InChIKey of methyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate?
The InChIKey is DHRDTTPZVUTSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c1-15-11(14)9-8(12)10(16-13-9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate?
methyl 4-bromo-5-phenyl-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 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 6426093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).