N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C25H30FN5O2 — CID 3242385

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C25H30FN5O2/c1-19-3-5-20(6-4-19)25-28-24(33-29-25)12-11-23(32)27-13-2-14-30-15-17-31(18-16-30)22-9-7-21(26)8-10-22/h3-10H,2,11-18H2,1H3,(H,27,32)
InChIKeyFKIMWLJCPAASGO-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.45
Rot. Bonds9

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3242385) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3242385
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C25H30FN5O2/c1-19-3-5-20(6-4-19)25-28-24(33-29-25)12-11-23(32)27-13-2-14-30-15-17-31(18-16-30)22-9-7-21(26)8-10-22/h3-10H,2,11-18H2,1H3,(H,27,32)
InChIKeyFKIMWLJCPAASGO-UHFFFAOYSA-N
XLogP3.45
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 91800660
N,N-Diethyl-2-{4-[4-(5-ethyl-[1,2,4]oxadiazol-3-yl)-2-fluoro-phenyl]-piperazin-1-yl}-2-phenyl-acetamide
CID 42647046
N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055738
2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 58055759
N,N-diethyl-2-[4-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055771
N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055782
2-ethyl-N-[4-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)-phenylmethyl]piperazin-1-yl]-3-fluorophenyl]butanamide
CID 68873961
3-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidine-1-carboxylic acid o-tolylamide
CID 649114
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide
CID 649642
N-(2-methylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 655381
N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 665846
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-phenylamine
CID 752359

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3242385) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)n2)cc1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is FKIMWLJCPAASGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-19-3-5-20(6-4-19)25-28-24(33-29-25)12-11-23(32)27-13-2-14-30-15-17-31(18-16-30)22-9-7-21(26)8-10-22/h3-10H,2,11-18H2,1H3,(H,27,32).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 451.55 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3242385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).