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

C20H16N6O3 — CID 165415039

IUPAC3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1conc1C(=O)NC1CC1
InChIInChI=1S/C20H16N6O3/c27-19(15-11-29-25-17(15)20(28)21-13-6-7-13)22-14-8-9-26-16(10-14)23-18(24-26)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2,(H,21,28)(H,22,27)
InChIKeyAQGFIEQLJQJZCL-UHFFFAOYSA-N
MW388.39 g/mol
LogP2.53
Rot. Bonds5

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

3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide (PubChem CID 165415039) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is 3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide
PubChem CID165415039
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC Name3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1conc1C(=O)NC1CC1
InChIInChI=1S/C20H16N6O3/c27-19(15-11-29-25-17(15)20(28)21-13-6-7-13)22-14-8-9-26-16(10-14)23-18(24-26)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2,(H,21,28)(H,22,27)
InChIKeyAQGFIEQLJQJZCL-UHFFFAOYSA-N
XLogP2.53
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide?
The IUPAC name of 3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide (CID 165415039) is 3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide.
What is the SMILES notation for 3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide?
The canonical SMILES for 3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide is O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1conc1C(=O)NC1CC1.
What is the InChIKey of 3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide?
The InChIKey is AQGFIEQLJQJZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c27-19(15-11-29-25-17(15)20(28)21-13-6-7-13)22-14-8-9-26-16(10-14)23-18(24-26)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2,(H,21,28)(H,22,27).
What are the key properties of 3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide?
3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide has a molecular weight of 388.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-4-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2-oxazole-3,4-dicarboxamide is sourced from PubChem (CID 165415039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).