About N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide
N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide (PubChem CID 54059488) has the molecular formula C26H29FN4O
and a molecular weight of 432.54 g/mol. Its IUPAC name is N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide.
Molecular Properties
| Compound Name | N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide |
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| PubChem CID | 54059488 |
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| Molecular Formula | C26H29FN4O |
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| Molecular Weight | 432.54 g/mol |
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| Exact Mass | 432.23 |
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| IUPAC Name | N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide |
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| SMILES | CC(C)=C(c1ccc(-c2ccccc2)c(F)c1)c1cc(C/N=C(\N)N2CCCCC2)no1 |
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| InChI | InChI=1S/C26H29FN4O/c1-18(2)25(20-11-12-22(23(27)15-20)19-9-5-3-6-10-19)24-16-21(30-32-24)17-29-26(28)31-13-7-4-8-14-31/h3,5-6,9-12,15-16H,4,7-8,13-14,17H2,1-2H3,(H2,28,29) |
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| InChIKey | LYQJRSXSWSDOQE-UHFFFAOYSA-N |
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| XLogP | 5.62 |
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| TPSA | 67.65 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 432.54 |
| LogP ≤ 5 | 5.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide (CID 54059488) is N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide is CC(C)=C(c1ccc(-c2ccccc2)c(F)c1)c1cc(C/N=C(\N)N2CCCCC2)no1.
What is the InChIKey of N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide?
The InChIKey is LYQJRSXSWSDOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c1-18(2)25(20-11-12-22(23(27)15-20)19-9-5-3-6-10-19)24-16-21(30-32-24)17-29-26(28)31-13-7-4-8-14-31/h3,5-6,9-12,15-16H,4,7-8,13-14,17H2,1-2H3,(H2,28,29).
What are the key properties of N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide?
N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide has a molecular weight of 432.54 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-[1-(3-fluoro-4-phenylphenyl)-2-methylprop-1-enyl]-1,2-oxazol-3-yl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 54059488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).