N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C17H12N6O4 — CID 136962336

IUPACN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C17H12N6O4/c24-16-11(4-2-6-19-16)15-21-14(27-23-15)9-20-17(25)12-7-13(26-22-12)10-3-1-5-18-8-10/h1-8H,9H2,(H,19,24)(H,20,25)
InChIKeyCXQNPJZQNFEPOF-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.40
Rot. Bonds5

About N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 136962336) has the molecular formula C17H12N6O4 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID136962336
Molecular FormulaC17H12N6O4
Molecular Weight364.32 g/mol
Exact Mass364.09
IUPAC NameN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C17H12N6O4/c24-16-11(4-2-6-19-16)15-21-14(27-23-15)9-20-17(25)12-7-13(26-22-12)10-3-1-5-18-8-10/h1-8H,9H2,(H,19,24)(H,20,25)
InChIKeyCXQNPJZQNFEPOF-UHFFFAOYSA-N
XLogP1.40
TPSA139.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide 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

N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
CID 136666477
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 136967128
5-methyl-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 137092974
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide
CID 137092972
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136666510
3-chloro-4-fluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666497
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 136666454
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
2-(6-oxopyridazin-1-yl)-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 136666488
3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666505
7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 136666450

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 136962336) is N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is CXQNPJZQNFEPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O4/c24-16-11(4-2-6-19-16)15-21-14(27-23-15)9-20-17(25)12-7-13(26-22-12)10-3-1-5-18-8-10/h1-8H,9H2,(H,19,24)(H,20,25).
What are the key properties of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 364.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 136962336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).