(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate

C17H15N3O4 — CID 2086763

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H15N3O4/c1-2-22-16-13(9-6-10-18-16)17(21)23-11-14-19-20-15(24-14)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyXIBPYYRAFNMILZ-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.89
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate (PubChem CID 2086763) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate
PubChem CID2086763
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H15N3O4/c1-2-22-16-13(9-6-10-18-16)17(21)23-11-14-19-20-15(24-14)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyXIBPYYRAFNMILZ-UHFFFAOYSA-N
XLogP2.89
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-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

Related Compounds

[2-(Benzylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2346507
[2-[(4-Methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359496
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate
CID 2105651
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2332627
2-Ethoxy-3-pyridinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester
CID 2365237
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2575709
[2-(4-Fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 3526515
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 18077361
Phenacyl 2-ethoxypyridine-3-carboxylate
CID 2346574
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2546738
(2-Benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
CID 7998156
[2-(4-Carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2363932

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate (CID 2086763) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The InChIKey is XIBPYYRAFNMILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-2-22-16-13(9-6-10-18-16)17(21)23-11-14-19-20-15(24-14)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2086763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).