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

C17H20FN5O — CID 120866927

IUPAC1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCCc1c(-c2nc(CC(C)NC)no2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H20FN5O/c1-4-15-14(17-21-16(22-24-17)9-11(2)19-3)10-20-23(15)13-7-5-12(18)6-8-13/h5-8,10-11,19H,4,9H2,1-3H3
InChIKeyOPLWDLKKMPLNGL-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.77
Rot. Bonds6

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

1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120866927) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120866927
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCCc1c(-c2nc(CC(C)NC)no2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H20FN5O/c1-4-15-14(17-21-16(22-24-17)9-11(2)19-3)10-20-23(15)13-7-5-12(18)6-8-13/h5-8,10-11,19H,4,9H2,1-3H3
InChIKeyOPLWDLKKMPLNGL-UHFFFAOYSA-N
XLogP2.77
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866933
N-methyl-1-[5-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120866929
1-[5-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867390
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
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 166237340
1-[5-[5-(4-fluorophenyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866174
6-fluoro-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 120868902
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866083
1-[5-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120865089
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120866927) is 1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CCc1c(-c2nc(CC(C)NC)no2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is OPLWDLKKMPLNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-4-15-14(17-21-16(22-24-17)9-11(2)19-3)10-20-23(15)13-7-5-12(18)6-8-13/h5-8,10-11,19H,4,9H2,1-3H3.
What are the key properties of 1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 329.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120866927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).