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

C11H7Cl2NO3 — CID 920393

IUPACmethyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2Cl)no1
InChIInChI=1S/C11H7Cl2NO3/c1-16-11(15)9-5-8(14-17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3
InChIKeyLHCKQXGYBRDMOF-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.43
Rot. Bonds2

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

methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate (PubChem CID 920393) has the molecular formula C11H7Cl2NO3 and a molecular weight of 272.09 g/mol. Its IUPAC name is methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate
PubChem CID920393
Molecular FormulaC11H7Cl2NO3
Molecular Weight272.09 g/mol
Exact Mass270.98
IUPAC Namemethyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2Cl)no1
InChIInChI=1S/C11H7Cl2NO3/c1-16-11(15)9-5-8(14-17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3
InChIKeyLHCKQXGYBRDMOF-UHFFFAOYSA-N
XLogP3.43
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]methyl]benzoate
CID 58127735
methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729
3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile
CID 1154158
methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate
CID 119016274
dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate
CID 12832892
methyl 2-(2,3-dichlorophenyl)-4-fluorobenzoate
CID 134617679
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929
methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561375
2-[2-(2,3-dichlorophenyl)-6-methyl-4-pyridinyl]acetic acid
CID 118819375
methyl 3-(3-iodo-4-methoxyphenyl)-1,2-oxazole-5-carboxylate
CID 67512931
methyl 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 19657942
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate (CID 920393) is methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate is COC(=O)c1cc(-c2cccc(Cl)c2Cl)no1.
What is the InChIKey of methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate?
The InChIKey is LHCKQXGYBRDMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO3/c1-16-11(15)9-5-8(14-17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3.
What are the key properties of methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate?
methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate has a molecular weight of 272.09 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 920393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).