N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide

C17H19FN6O2 — CID 46968768

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide
SMILESCCc1nc(CNC(=O)c2cn(C(CC)c3ccc(F)cc3)nn2)no1
InChIInChI=1S/C17H19FN6O2/c1-3-14(11-5-7-12(18)8-6-11)24-10-13(21-23-24)17(25)19-9-15-20-16(4-2)26-22-15/h5-8,10,14H,3-4,9H2,1-2H3,(H,19,25)
InChIKeyNGDHGMPEZYRNRT-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.29
Rot. Bonds7

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide (PubChem CID 46968768) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide
PubChem CID46968768
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide
SMILESCCc1nc(CNC(=O)c2cn(C(CC)c3ccc(F)cc3)nn2)no1
InChIInChI=1S/C17H19FN6O2/c1-3-14(11-5-7-12(18)8-6-11)24-10-13(21-23-24)17(25)19-9-15-20-16(4-2)26-22-15/h5-8,10,14H,3-4,9H2,1-2H3,(H,19,25)
InChIKeyNGDHGMPEZYRNRT-UHFFFAOYSA-N
XLogP2.29
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-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

1-(4-fluorobenzyl)-N-[3-(1H-imidazol-1-yl)propyl]-1H-1,2,3-triazole-4-carboxamide
CID 647193
1-(1-Phenyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 656039
1-(3,4-difluorobenzoyl)-4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine
CID 91892062
1-(3,4-difluorobenzoyl)-4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine
CID 91891845
2-(4-Fluorophenyl)-1-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidin-1-YL}ethan-1-one
CID 91892023
5-{1-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}-3-methyl-1,2,4-oxadiazole
CID 91892154
3-cyclopropyl-5-{1-[1-(3,4-difluorobenzoyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole
CID 91892326
1-(3-Fluorobenzoyl)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidine
CID 91908543
3-(2-methoxyethyl)-5-[1-(2-phenylethyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
CID 56885021
1-(3-fluorobenzoyl)-4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine
CID 91891934
1-(3,4-difluorobenzoyl)-4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine
CID 91891943
1-(2,6-difluorobenzoyl)-4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine
CID 91892010

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide (CID 46968768) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide is CCc1nc(CNC(=O)c2cn(C(CC)c3ccc(F)cc3)nn2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide?
The InChIKey is NGDHGMPEZYRNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2/c1-3-14(11-5-7-12(18)8-6-11)24-10-13(21-23-24)17(25)19-9-15-20-16(4-2)26-22-15/h5-8,10,14H,3-4,9H2,1-2H3,(H,19,25).
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide is sourced from PubChem (CID 46968768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).