1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

C17H20FN5O — CID 29028609

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCc1nn(C)cc1CN(C)Cc1nc(Cc2ccccc2F)no1
InChIInChI=1S/C17H20FN5O/c1-12-14(10-23(3)20-12)9-22(2)11-17-19-16(21-24-17)8-13-6-4-5-7-15(13)18/h4-7,10H,8-9,11H2,1-3H3
InChIKeyMMYCZKVDMLZDCN-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.47
Rot. Bonds6

About 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 29028609) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID29028609
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCc1nn(C)cc1CN(C)Cc1nc(Cc2ccccc2F)no1
InChIInChI=1S/C17H20FN5O/c1-12-14(10-23(3)20-12)9-22(2)11-17-19-16(21-24-17)8-13-6-4-5-7-15(13)18/h4-7,10H,8-9,11H2,1-3H3
InChIKeyMMYCZKVDMLZDCN-UHFFFAOYSA-N
XLogP2.47
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine 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

N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16188253
N-{[3-(2-chlorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 16190580
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16191535
N-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16188694
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylethanamine
CID 16187279
N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-pyrazol-1-yl)ethanamine
CID 16188402
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-N-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 16189947
1-[3-(2-chlorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16192084
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 162642965
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16188647
N-{[3-(2-chlorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 16188777

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 29028609) is 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is Cc1nn(C)cc1CN(C)Cc1nc(Cc2ccccc2F)no1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is MMYCZKVDMLZDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-12-14(10-23(3)20-12)9-22(2)11-17-19-16(21-24-17)8-13-6-4-5-7-15(13)18/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 329.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 29028609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).