1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride

C19H23ClFN5O — CID 120866765

IUPAC1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)n1.Cl
InChIInChI=1S/C19H22FN5O.ClH/c1-12(21-4)11-18-22-19(26-24-18)10-9-17-13(2)23-25(14(17)3)16-7-5-15(20)6-8-16;/h5-10,12,21H,11H2,1-4H3;1H/b10-9+;
InChIKeyKWIQNXYSTUWHDQ-RRABGKBLSA-N
MW391.88 g/mol
LogP3.75
Rot. Bonds6

About 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride

1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride (PubChem CID 120866765) has the molecular formula C19H23ClFN5O and a molecular weight of 391.88 g/mol. Its IUPAC name is 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
PubChem CID120866765
Molecular FormulaC19H23ClFN5O
Molecular Weight391.88 g/mol
Exact Mass391.16
IUPAC Name1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)n1.Cl
InChIInChI=1S/C19H22FN5O.ClH/c1-12(21-4)11-18-22-19(26-24-18)10-9-17-13(2)23-25(14(17)3)16-7-5-15(20)6-8-16;/h5-10,12,21H,11H2,1-4H3;1H/b10-9+;
InChIKeyKWIQNXYSTUWHDQ-RRABGKBLSA-N
XLogP3.75
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride 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-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120865113
1-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866887
1-[5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866815
1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866966
1-[5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866023
1-[5-[4-bromo-1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867125
1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866927
1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one
CID 120867240
1-[5-[difluoro-(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866605
1-[5-[(E)-2-(2,5-dichlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865585
(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enamide
CID 47102587
4-[4-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethylpyrazol-1-yl]benzonitrile
CID 68991867

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride (CID 120866765) is 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1noc(/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)n1.Cl.
What is the InChIKey of 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The InChIKey is KWIQNXYSTUWHDQ-RRABGKBLSA-N. The full InChI is InChI=1S/C19H22FN5O.ClH/c1-12(21-4)11-18-22-19(26-24-18)10-9-17-13(2)23-25(14(17)3)16-7-5-15(20)6-8-16;/h5-10,12,21H,11H2,1-4H3;1H/b10-9+;.
What are the key properties of 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride has a molecular weight of 391.88 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120866765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).