4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid

C16H15Cl2N3O3 — CID 70406896

IUPAC4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)C(N2CN=CO2)=C(C)N1
InChIInChI=1S/C16H15Cl2N3O3/c1-8-12(16(22)23)13(10-4-3-5-11(17)14(10)18)15(9(2)20-8)21-6-19-7-24-21/h3-5,7,13,20H,6H2,1-2H3,(H,22,23)
InChIKeyLZTWWPZYPXRIBP-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.50
Rot. Bonds3

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

4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid (PubChem CID 70406896) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid
PubChem CID70406896
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)C(N2CN=CO2)=C(C)N1
InChIInChI=1S/C16H15Cl2N3O3/c1-8-12(16(22)23)13(10-4-3-5-11(17)14(10)18)15(9(2)20-8)21-6-19-7-24-21/h3-5,7,13,20H,6H2,1-2H3,(H,22,23)
InChIKeyLZTWWPZYPXRIBP-UHFFFAOYSA-N
XLogP3.50
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid (CID 70406896) is 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid is CC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)C(N2CN=CO2)=C(C)N1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid?
The InChIKey is LZTWWPZYPXRIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-8-12(16(22)23)13(10-4-3-5-11(17)14(10)18)15(9(2)20-8)21-6-19-7-24-21/h3-5,7,13,20H,6H2,1-2H3,(H,22,23).
What are the key properties of 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid?
4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid has a molecular weight of 368.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(3H-1,2,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 70406896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).