(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate

C21H20N4O4 — CID 2103687

IUPAC(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate
SMILESO=C(OCC(=O)N1CCOCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H20N4O4/c26-18(24-11-13-28-14-12-24)15-29-21(27)19-22-20(16-7-3-1-4-8-16)25(23-19)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyIPTPXKCTBLUQBZ-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.95
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate

(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate (PubChem CID 2103687) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate
PubChem CID2103687
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate
SMILESO=C(OCC(=O)N1CCOCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H20N4O4/c26-18(24-11-13-28-14-12-24)15-29-21(27)19-22-20(16-7-3-1-4-8-16)25(23-19)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyIPTPXKCTBLUQBZ-UHFFFAOYSA-N
XLogP1.95
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 55326103
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606581
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 9118822
[2-(methylcarbamoylamino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606617
(2-morpholin-4-yl-2-oxoethyl) 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628593
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606608
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
(2-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 31127005
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2394694
[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606622

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate (CID 2103687) is (2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate is O=C(OCC(=O)N1CCOCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
The InChIKey is IPTPXKCTBLUQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-18(24-11-13-28-14-12-24)15-29-21(27)19-22-20(16-7-3-1-4-8-16)25(23-19)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate has a molecular weight of 392.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 2103687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).