4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide

C19H27FN6O — CID 111080323

IUPAC4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide
SMILESCC(C)c1noc(CCC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H27FN6O/c1-14(2)18-23-17(27-24-18)4-3-9-22-19(21)26-12-10-25(11-13-26)16-7-5-15(20)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H2,21,22)
InChIKeyMTPQSBVWQJDBOP-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.40
Rot. Bonds6

About 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide (PubChem CID 111080323) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide
PubChem CID111080323
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide
SMILESCC(C)c1noc(CCC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H27FN6O/c1-14(2)18-23-17(27-24-18)4-3-9-22-19(21)26-12-10-25(11-13-26)16-7-5-15(20)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H2,21,22)
InChIKeyMTPQSBVWQJDBOP-UHFFFAOYSA-N
XLogP2.40
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide 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

4-(4-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 111091252
N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111080324
tert-butyl 4-[N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111080307
4-(4-fluorophenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboximidamide
CID 111042651
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111035685
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 110029201
N'-(3-butoxypropyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111025856
N'-[3-(ethylsulfonylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111093532
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
N'-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111064225

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide (CID 111080323) is 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide is CC(C)c1noc(CCC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide?
The InChIKey is MTPQSBVWQJDBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-14(2)18-23-17(27-24-18)4-3-9-22-19(21)26-12-10-25(11-13-26)16-7-5-15(20)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H2,21,22).
What are the key properties of 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide has a molecular weight of 374.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111080323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).