2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

C16H21ClFN5O2 — CID 119915259

IUPAC2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1nc(-c2ccc(F)cc2)no1.Cl
InChIInChI=1S/C16H20FN5O2.ClH/c1-21(11-15(23)22-8-6-18-7-9-22)10-14-19-16(20-24-14)12-2-4-13(17)5-3-12;/h2-5,18H,6-11H2,1H3;1H
InChIKeySCMJYJLXAFPZSY-UHFFFAOYSA-N
MW369.83 g/mol
LogP1.16
Rot. Bonds5

About 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119915259) has the molecular formula C16H21ClFN5O2 and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119915259
Molecular FormulaC16H21ClFN5O2
Molecular Weight369.83 g/mol
Exact Mass369.14
IUPAC Name2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1nc(-c2ccc(F)cc2)no1.Cl
InChIInChI=1S/C16H20FN5O2.ClH/c1-21(11-15(23)22-8-6-18-7-9-22)10-14-19-16(20-24-14)12-2-4-13(17)5-3-12;/h2-5,18H,6-11H2,1H3;1H
InChIKeySCMJYJLXAFPZSY-UHFFFAOYSA-N
XLogP1.16
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride with MolForge

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Related Compounds

2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914972
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915159
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 134033852
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915107
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017528
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119914992
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915157
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperazin-1-ylbutan-1-one
CID 119400800

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (CID 119915259) is 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is CN(CC(=O)N1CCNCC1)Cc1nc(-c2ccc(F)cc2)no1.Cl.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is SCMJYJLXAFPZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2.ClH/c1-21(11-15(23)22-8-6-18-7-9-22)10-14-19-16(20-24-14)12-2-4-13(17)5-3-12;/h2-5,18H,6-11H2,1H3;1H.
What are the key properties of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 369.83 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119915259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).