N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide

C16H12N6O2 — CID 53173201

IUPACN-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(-c3ccc4nncn4c3)no2)c1
InChIInChI=1S/C16H12N6O2/c1-10(23)18-13-4-2-3-11(7-13)16-19-15(21-24-16)12-5-6-14-20-17-9-22(14)8-12/h2-9H,1H3,(H,18,23)
InChIKeyNOACBTYURTXJNH-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.40
Rot. Bonds3

About N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide

N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 53173201) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID53173201
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC NameN-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(-c3ccc4nncn4c3)no2)c1
InChIInChI=1S/C16H12N6O2/c1-10(23)18-13-4-2-3-11(7-13)16-19-15(21-24-16)12-5-6-14-20-17-9-22(14)8-12/h2-9H,1H3,(H,18,23)
InChIKeyNOACBTYURTXJNH-UHFFFAOYSA-N
XLogP2.40
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide
CID 167828732
N-[3-[3-(2,3-dioxo-1-propyl-4H-quinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53065568
N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53173305
N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 21358511
1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 53014308
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103317
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide
CID 39835416
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53031816

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 53173201) is N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc(-c3ccc4nncn4c3)no2)c1.
What is the InChIKey of N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is NOACBTYURTXJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-10(23)18-13-4-2-3-11(7-13)16-19-15(21-24-16)12-5-6-14-20-17-9-22(14)8-12/h2-9H,1H3,(H,18,23).
What are the key properties of N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 320.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 53173201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).