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

C19H19Cl2N3O3 — CID 54127028

IUPACpropan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate
SMILESCC1=NC(C)=C(c2nnco2)C(c2cccc(Cl)c2Cl)C1C(=O)OC(C)C
InChIInChI=1S/C19H19Cl2N3O3/c1-9(2)27-19(25)15-11(4)23-10(3)14(18-24-22-8-26-18)16(15)12-6-5-7-13(20)17(12)21/h5-9,15-16H,1-4H3
InChIKeyNRRRGLHDNMWMMS-UHFFFAOYSA-N
MW408.29 g/mol
LogP4.93
Rot. Bonds4

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

propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate (PubChem CID 54127028) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate
PubChem CID54127028
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC Namepropan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate
SMILESCC1=NC(C)=C(c2nnco2)C(c2cccc(Cl)c2Cl)C1C(=O)OC(C)C
InChIInChI=1S/C19H19Cl2N3O3/c1-9(2)27-19(25)15-11(4)23-10(3)14(18-24-22-8-26-18)16(15)12-6-5-7-13(20)17(12)21/h5-9,15-16H,1-4H3
InChIKeyNRRRGLHDNMWMMS-UHFFFAOYSA-N
XLogP4.93
TPSA77.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate?
The IUPAC name of propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate (CID 54127028) is propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate is CC1=NC(C)=C(c2nnco2)C(c2cccc(Cl)c2Cl)C1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate?
The InChIKey is NRRRGLHDNMWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-9(2)27-19(25)15-11(4)23-10(3)14(18-24-22-8-26-18)16(15)12-6-5-7-13(20)17(12)21/h5-9,15-16H,1-4H3.
What are the key properties of propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate?
propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate has a molecular weight of 408.29 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-3,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 54127028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).