4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate

C16H12Cl2N3O3- — CID 135707793

IUPAC4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate
SMILESCC1=C(C(=O)[O-])C(c2cccc(Cl)c2Cl)C(c2nnco2)=C(C)N1
InChIInChI=1S/C16H13Cl2N3O3/c1-7-11(15-21-19-6-24-15)13(12(16(22)23)8(2)20-7)9-4-3-5-10(17)14(9)18/h3-6,13,20H,1-2H3,(H,22,23)/p-1
InChIKeyZVXXPJNJMRONKV-UHFFFAOYSA-M
MW365.20 g/mol
LogP2.52
Rot. Bonds3

About 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate

4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate (PubChem CID 135707793) has the molecular formula C16H12Cl2N3O3- and a molecular weight of 365.20 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate
PubChem CID135707793
Molecular FormulaC16H12Cl2N3O3-
Molecular Weight365.20 g/mol
Exact Mass364.03
IUPAC Name4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate
SMILESCC1=C(C(=O)[O-])C(c2cccc(Cl)c2Cl)C(c2nnco2)=C(C)N1
InChIInChI=1S/C16H13Cl2N3O3/c1-7-11(15-21-19-6-24-15)13(12(16(22)23)8(2)20-7)9-4-3-5-10(17)14(9)18/h3-6,13,20H,1-2H3,(H,22,23)/p-1
InChIKeyZVXXPJNJMRONKV-UHFFFAOYSA-M
XLogP2.52
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate (CID 135707793) is 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate is CC1=C(C(=O)[O-])C(c2cccc(Cl)c2Cl)C(c2nnco2)=C(C)N1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate?
The InChIKey is ZVXXPJNJMRONKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13Cl2N3O3/c1-7-11(15-21-19-6-24-15)13(12(16(22)23)8(2)20-7)9-4-3-5-10(17)14(9)18/h3-6,13,20H,1-2H3,(H,22,23)/p-1.
What are the key properties of 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate?
4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate has a molecular weight of 365.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 135707793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).