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

C18H16N6O2 — CID 53173305

IUPACN-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCCc1nnc2ccc(-c3noc(-c4ccc(NC(C)=O)cc4)n3)cn12
InChIInChI=1S/C18H16N6O2/c1-3-15-21-22-16-9-6-13(10-24(15)16)17-20-18(26-23-17)12-4-7-14(8-5-12)19-11(2)25/h4-10H,3H2,1-2H3,(H,19,25)
InChIKeyHKEAPXLDCOOIJG-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.97
Rot. Bonds4

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

N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 53173305) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID53173305
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCCc1nnc2ccc(-c3noc(-c4ccc(NC(C)=O)cc4)n3)cn12
InChIInChI=1S/C18H16N6O2/c1-3-15-21-22-16-9-6-13(10-24(15)16)17-20-18(26-23-17)12-4-7-14(8-5-12)19-11(2)25/h4-10H,3H2,1-2H3,(H,19,25)
InChIKeyHKEAPXLDCOOIJG-UHFFFAOYSA-N
XLogP2.97
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-chlorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173299
N-(4-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179580
5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173325
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53173201
N-(3-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179579
N-[4-[3-(2-oxo-1-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53065842
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiourea
CID 169356713
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
CID 21483705
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea
CID 53014344
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of 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) is N-[4-[3-(3-ethyl-[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-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is CCc1nnc2ccc(-c3noc(-c4ccc(NC(C)=O)cc4)n3)cn12.
What is the InChIKey of N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is HKEAPXLDCOOIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-3-15-21-22-16-9-6-13(10-24(15)16)17-20-18(26-23-17)12-4-7-14(8-5-12)19-11(2)25/h4-10H,3H2,1-2H3,(H,19,25).
What are the key properties of N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 53173305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).