4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide

C22H22N6O3 — CID 165414949

IUPAC4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide
SMILESCCN(CC)C(=O)c1c(C)noc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H22N6O3/c1-4-27(5-2)22(30)18-14(3)26-31-19(18)21(29)23-16-11-12-28-17(13-16)24-20(25-28)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H,23,29)
InChIKeyOGRIXWXKARBZBY-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.43
Rot. Bonds6

About 4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide

4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide (PubChem CID 165414949) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide
PubChem CID165414949
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide
SMILESCCN(CC)C(=O)c1c(C)noc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H22N6O3/c1-4-27(5-2)22(30)18-14(3)26-31-19(18)21(29)23-16-11-12-28-17(13-16)24-20(25-28)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H,23,29)
InChIKeyOGRIXWXKARBZBY-UHFFFAOYSA-N
XLogP3.43
TPSA105.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide (CID 165414949) is 4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide is CCN(CC)C(=O)c1c(C)noc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide?
The InChIKey is OGRIXWXKARBZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-4-27(5-2)22(30)18-14(3)26-31-19(18)21(29)23-16-11-12-28-17(13-16)24-20(25-28)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H,23,29).
What are the key properties of 4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide?
4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide has a molecular weight of 418.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-3-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-4,5-dicarboxamide is sourced from PubChem (CID 165414949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).