N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine

C21H20FN5O — CID 25380749

IUPACN-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCN(Cc1ccc(-n2cccn2)cc1)Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C21H20FN5O/c1-26(14-16-6-8-19(9-7-16)27-11-3-10-23-27)15-21-24-20(25-28-21)13-17-4-2-5-18(22)12-17/h2-12H,13-15H2,1H3
InChIKeyVLAREPJETVVTHV-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.62
Rot. Bonds7

About N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine

N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine (PubChem CID 25380749) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
PubChem CID25380749
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC NameN-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCN(Cc1ccc(-n2cccn2)cc1)Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C21H20FN5O/c1-26(14-16-6-8-19(9-7-16)27-11-3-10-23-27)15-21-24-20(25-28-21)13-17-4-2-5-18(22)12-17/h2-12H,13-15H2,1H3
InChIKeyVLAREPJETVVTHV-UHFFFAOYSA-N
XLogP3.62
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 86920071
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
3-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345653
3-(chloromethyl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 43120187
1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63350334
N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 71970431
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
N-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-phenoxyphenyl)methanamine
CID 26391993
3-[[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911756
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846811
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288886
5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893907

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine (CID 25380749) is N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine is CN(Cc1ccc(-n2cccn2)cc1)Cc1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
The InChIKey is VLAREPJETVVTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-26(14-16-6-8-19(9-7-16)27-11-3-10-23-27)15-21-24-20(25-28-21)13-17-4-2-5-18(22)12-17/h2-12H,13-15H2,1H3.
What are the key properties of N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine has a molecular weight of 377.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 25380749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).