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

C15H20FN5O — CID 45106876

IUPAC3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCN1CCN(CCNc2nc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C15H20FN5O/c1-20-8-10-21(11-9-20)7-6-17-15-18-14(19-22-15)12-4-2-3-5-13(12)16/h2-5H,6-11H2,1H3,(H,17,18,19)
InChIKeyFJXCIDUXTZDQEK-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.53
Rot. Bonds5

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

3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 45106876) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID45106876
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCN1CCN(CCNc2nc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C15H20FN5O/c1-20-8-10-21(11-9-20)7-6-17-15-18-14(19-22-15)12-4-2-3-5-13(12)16/h2-5H,6-11H2,1H3,(H,17,18,19)
InChIKeyFJXCIDUXTZDQEK-UHFFFAOYSA-N
XLogP1.53
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Butalamine
CID 30949
N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
CID 70675709
N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 12728457
N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
CID 70675707
3-Phenyl-5-(beta-diethylaminoethyl)-1,2,4-oxadiazole hydrochloride
CID 14637
Adrevil
CID 42078
N,N-dimethyl-N'-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}propane-1,3-diamine
CID 662381
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791045
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 1453556
N1-(tert-butyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 2809272
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3237273
4-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 14452065

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 45106876) is 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine is CN1CCN(CCNc2nc(-c3ccccc3F)no2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is FJXCIDUXTZDQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-20-8-10-21(11-9-20)7-6-17-15-18-14(19-22-15)12-4-2-3-5-13(12)16/h2-5H,6-11H2,1H3,(H,17,18,19).
What are the key properties of 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine?
3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 305.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 45106876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).