dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate

C19H15ClN2O5 — CID 102389769

IUPACdimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)cc2)c(-c2cc(C)no2)c1C(=O)OC
InChIInChI=1S/C19H15ClN2O5/c1-10-8-14(27-22-10)16-15(19(24)26-3)13(18(23)25-2)9-21-17(16)11-4-6-12(20)7-5-11/h4-9H,1-3H3
InChIKeySNLIOSBZZPLACB-UHFFFAOYSA-N
MW386.79 g/mol
LogP3.94
Rot. Bonds4

About dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate

dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate (PubChem CID 102389769) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate
PubChem CID102389769
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Namedimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)cc2)c(-c2cc(C)no2)c1C(=O)OC
InChIInChI=1S/C19H15ClN2O5/c1-10-8-14(27-22-10)16-15(19(24)26-3)13(18(23)25-2)9-21-17(16)11-4-6-12(20)7-5-11/h4-9H,1-3H3
InChIKeySNLIOSBZZPLACB-UHFFFAOYSA-N
XLogP3.94
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate?
The IUPAC name of dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate (CID 102389769) is dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate is COC(=O)c1cnc(-c2ccc(Cl)cc2)c(-c2cc(C)no2)c1C(=O)OC.
What is the InChIKey of dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate?
The InChIKey is SNLIOSBZZPLACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c1-10-8-14(27-22-10)16-15(19(24)26-3)13(18(23)25-2)9-21-17(16)11-4-6-12(20)7-5-11/h4-9H,1-3H3.
What are the key properties of dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate?
dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate has a molecular weight of 386.79 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)pyridine-3,4-dicarboxylate is sourced from PubChem (CID 102389769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).