ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate

C20H26N2O4 — CID 57244921

IUPACethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC(CC)=C(C2=NC(C)(C)CO2)C1c1ccco1
InChIInChI=1S/C20H26N2O4/c1-6-13-16(18-22-20(4,5)11-26-18)17(14-9-8-10-25-14)15(12(3)21-13)19(23)24-7-2/h8-10,15,17H,6-7,11H2,1-5H3
InChIKeySWDLNIKQSBWZMU-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.89
Rot. Bonds5

About ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate

ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate (PubChem CID 57244921) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate
PubChem CID57244921
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nameethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC(CC)=C(C2=NC(C)(C)CO2)C1c1ccco1
InChIInChI=1S/C20H26N2O4/c1-6-13-16(18-22-20(4,5)11-26-18)17(14-9-8-10-25-14)15(12(3)21-13)19(23)24-7-2/h8-10,15,17H,6-7,11H2,1-5H3
InChIKeySWDLNIKQSBWZMU-UHFFFAOYSA-N
XLogP3.89
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate (CID 57244921) is ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate is CCOC(=O)C1C(C)=NC(CC)=C(C2=NC(C)(C)CO2)C1c1ccco1.
What is the InChIKey of ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate?
The InChIKey is SWDLNIKQSBWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-6-13-16(18-22-20(4,5)11-26-18)17(14-9-8-10-25-14)15(12(3)21-13)19(23)24-7-2/h8-10,15,17H,6-7,11H2,1-5H3.
What are the key properties of ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate?
ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 57244921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).