N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide

C16H14N6O3 — CID 91909329

IUPACN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
SMILESCCc1noc(-c2cccn3c(CNC(=O)c4ccco4)nnc23)n1
InChIInChI=1S/C16H14N6O3/c1-2-12-18-16(25-21-12)10-5-3-7-22-13(19-20-14(10)22)9-17-15(23)11-6-4-8-24-11/h3-8H,2,9H2,1H3,(H,17,23)
InChIKeyHNWBWWGIDFELKZ-UHFFFAOYSA-N
MW338.33 g/mol
LogP1.86
Rot. Bonds5

About N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide

N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide (PubChem CID 91909329) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
PubChem CID91909329
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC NameN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
SMILESCCc1noc(-c2cccn3c(CNC(=O)c4ccco4)nnc23)n1
InChIInChI=1S/C16H14N6O3/c1-2-12-18-16(25-21-12)10-5-3-7-22-13(19-20-14(10)22)9-17-15(23)11-6-4-8-24-11/h3-8H,2,9H2,1H3,(H,17,23)
InChIKeyHNWBWWGIDFELKZ-UHFFFAOYSA-N
XLogP1.86
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
CID 91893057
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluorobenzamide
CID 91893121
N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91892949
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexanecarboxamide
CID 91893156
4-chloro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893005
3,5-dimethyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893142
N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 91892948
3,4-dichloro-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91817976
2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 175667239
3,4-difluoro-N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893046
N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 91631907
2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide
CID 171146354

Frequently Asked Questions

What is the IUPAC name of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide (CID 91909329) is N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide is CCc1noc(-c2cccn3c(CNC(=O)c4ccco4)nnc23)n1.
What is the InChIKey of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is HNWBWWGIDFELKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c1-2-12-18-16(25-21-12)10-5-3-7-22-13(19-20-14(10)22)9-17-15(23)11-6-4-8-24-11/h3-8H,2,9H2,1H3,(H,17,23).
What are the key properties of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide?
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 91909329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).