dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate

C14H13NO6 — CID 102953608

IUPACdimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2cccc(OC)c2)oc1C(=O)OC
InChIInChI=1S/C14H13NO6/c1-18-9-6-4-5-8(7-9)12-15-10(13(16)19-2)11(21-12)14(17)20-3/h4-7H,1-3H3
InChIKeyWAPLHJMBPWUQOP-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.92
Rot. Bonds4

About dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953608) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953608
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Namedimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2cccc(OC)c2)oc1C(=O)OC
InChIInChI=1S/C14H13NO6/c1-18-9-6-4-5-8(7-9)12-15-10(13(16)19-2)11(21-12)14(17)20-3/h4-7H,1-3H3
InChIKeyWAPLHJMBPWUQOP-UHFFFAOYSA-N
XLogP1.92
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 2-(3-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953612
dimethyl 2-(3,4-dichlorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953675
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
5-amino-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 11658697
dimethyl 2-(3-bromo-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953733
dimethyl 2-(4-bromo-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953735
dimethyl 2-(4-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953674
dimethyl 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953652
dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953751
dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953679
dimethyl 2-(2-bromo-3-fluorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953717
benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 44556824

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate (CID 102953608) is dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(-c2cccc(OC)c2)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is WAPLHJMBPWUQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6/c1-18-9-6-4-5-8(7-9)12-15-10(13(16)19-2)11(21-12)14(17)20-3/h4-7H,1-3H3.
What are the key properties of dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 291.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).