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

C24H27F2N5O2 — CID 122174833

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27F2N5O2/c25-18-6-8-19(9-7-18)31-16-14-30(15-17-31)13-3-12-27-22(32)10-11-23-28-24(29-33-23)20-4-1-2-5-21(20)26/h1-2,4-9H,3,10-17H2,(H,27,32)
InChIKeyOHFUTWRJYPQMSQ-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.28
Rot. Bonds9

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

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide (PubChem CID 122174833) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide
PubChem CID122174833
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27F2N5O2/c25-18-6-8-19(9-7-18)31-16-14-30(15-17-31)13-3-12-27-22(32)10-11-23-28-24(29-33-23)20-4-1-2-5-21(20)26/h1-2,4-9H,3,10-17H2,(H,27,32)
InChIKeyOHFUTWRJYPQMSQ-UHFFFAOYSA-N
XLogP3.28
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.28
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

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 15999074
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 15998462
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]propanamide
CID 55960365
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146072655
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454749
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 110330727
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 866835
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 30885363
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide (CID 122174833) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide is O=C(CCc1nc(-c2ccccc2F)no1)NCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide?
The InChIKey is OHFUTWRJYPQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c25-18-6-8-19(9-7-18)31-16-14-30(15-17-31)13-3-12-27-22(32)10-11-23-28-24(29-33-23)20-4-1-2-5-21(20)26/h1-2,4-9H,3,10-17H2,(H,27,32).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide has a molecular weight of 455.51 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]propanamide is sourced from PubChem (CID 122174833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).