1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C17H21FN6O — CID 120867148

IUPAC1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2nc(C(C)C)n(-c3ccccc3F)n2)n1
InChIInChI=1S/C17H21FN6O/c1-10(2)16-21-15(17-20-14(23-25-17)9-11(3)19-4)22-24(16)13-8-6-5-7-12(13)18/h5-8,10-11,19H,9H2,1-4H3
InChIKeyPIYNRTAMLHWLLT-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.73
Rot. Bonds6

About 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120867148) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120867148
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2nc(C(C)C)n(-c3ccccc3F)n2)n1
InChIInChI=1S/C17H21FN6O/c1-10(2)16-21-15(17-20-14(23-25-17)9-11(3)19-4)22-24(16)13-8-6-5-7-12(13)18/h5-8,10-11,19H,9H2,1-4H3
InChIKeyPIYNRTAMLHWLLT-UHFFFAOYSA-N
XLogP2.73
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine 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-[5-[1-(2-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867063
1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867036
N-methyl-1-[5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865123
1-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866887
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 166237340
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866083
N-methyl-1-[5-(1-methyl-5-phenylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868941
1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 167914466
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
1-[5-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867655

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120867148) is 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2nc(C(C)C)n(-c3ccccc3F)n2)n1.
What is the InChIKey of 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is PIYNRTAMLHWLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-10(2)16-21-15(17-20-14(23-25-17)9-11(3)19-4)22-24(16)13-8-6-5-7-12(13)18/h5-8,10-11,19H,9H2,1-4H3.
What are the key properties of 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 344.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120867148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).