methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C12H10BrNO3 — CID 82135015

IUPACmethyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(Br)c2)noc1C
InChIInChI=1S/C12H10BrNO3/c1-7-10(12(15)16-2)11(14-17-7)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKeyRWORHIBXBNUDHA-UHFFFAOYSA-N
MW296.12 g/mol
LogP3.20
Rot. Bonds2

About methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate

methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 82135015) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID82135015
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Namemethyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(Br)c2)noc1C
InChIInChI=1S/C12H10BrNO3/c1-7-10(12(15)16-2)11(14-17-7)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKeyRWORHIBXBNUDHA-UHFFFAOYSA-N
XLogP3.20
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 50805790
3-(3-bromophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805848
3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805427
3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805638
3-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805699
methyl 5-bromo-3-phenyl-1,2-oxazole-4-carboxylate
CID 131453089
bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 174684949
4-[3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-cyclopentyl-1H-pyrrole-2-carboxamide
CID 57480075
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7901076

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 82135015) is methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2cccc(Br)c2)noc1C.
What is the InChIKey of methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is RWORHIBXBNUDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-7-10(12(15)16-2)11(14-17-7)8-4-3-5-9(13)6-8/h3-6H,1-2H3.
What are the key properties of methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 296.12 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 82135015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).