3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine

C26H33FN4O — CID 56928320

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
SMILESCCCc1oc(CNCCCN2CCN(c3ccc(F)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C26H33FN4O/c1-2-7-24-26(21-8-4-3-5-9-21)29-25(32-24)20-28-14-6-15-30-16-18-31(19-17-30)23-12-10-22(27)11-13-23/h3-5,8-13,28H,2,6-7,14-20H2,1H3
InChIKeyHCVWKKRMSYDBHN-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.74
Rot. Bonds10

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine (PubChem CID 56928320) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
PubChem CID56928320
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
SMILESCCCc1oc(CNCCCN2CCN(c3ccc(F)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C26H33FN4O/c1-2-7-24-26(21-8-4-3-5-9-21)29-25(32-24)20-28-14-6-15-30-16-18-31(19-17-30)23-12-10-22(27)11-13-23/h3-5,8-13,28H,2,6-7,14-20H2,1H3
InChIKeyHCVWKKRMSYDBHN-UHFFFAOYSA-N
XLogP4.74
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 56928324
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 56929606
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982248
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propan-1-amine
CID 92707771
1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 15575683
N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 142710122
3-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine;dihydrochloride
CID 6456966
2,3-dihydroxybutanedioic acid;5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982247
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 109430833
2-[[4-(4-fluorophenyl)-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-oxazol-2-yl]methoxy]-4-phenylpyridine-3-carbonitrile
CID 130219887
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109430832
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine (CID 56928320) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine is CCCc1oc(CNCCCN2CCN(c3ccc(F)cc3)CC2)nc1-c1ccccc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The InChIKey is HCVWKKRMSYDBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-2-7-24-26(21-8-4-3-5-9-21)29-25(32-24)20-28-14-6-15-30-16-18-31(19-17-30)23-12-10-22(27)11-13-23/h3-5,8-13,28H,2,6-7,14-20H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine has a molecular weight of 436.58 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 56928320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).