4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide

C24H26FN3O2 — CID 129460123

IUPAC4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1
InChIInChI=1S/C24H26FN3O2/c25-21-6-2-5-20(14-21)19-4-1-3-18(13-19)15-24(8-11-30-12-9-24)23(29)27-10-7-22-16-26-17-28-22/h1-6,13-14,16-17H,7-12,15H2,(H,26,28)(H,27,29)
InChIKeyZULFRTUUZNIAFM-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.91
Rot. Bonds7

About 4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide

4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide (PubChem CID 129460123) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide
PubChem CID129460123
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1
InChIInChI=1S/C24H26FN3O2/c25-21-6-2-5-20(14-21)19-4-1-3-18(13-19)15-24(8-11-30-12-9-24)23(29)27-10-7-22-16-26-17-28-22/h1-6,13-14,16-17H,7-12,15H2,(H,26,28)(H,27,29)
InChIKeyZULFRTUUZNIAFM-UHFFFAOYSA-N
XLogP3.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 7692762
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CID 10084572
N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide
CID 10472023
3-(4-fluorophenyl)-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenylpropanamide
CID 25149607
N-[(R)-1-(4-fluorobenzyl)-2-oxo-2-(3-pentyl-3-phenylazetidin-1-yl)ethyl]-3-(1H-imidazol-4-yl)propionamide
CID 46195720
N-[(R)-1-(2-fluorobenzyl)-2-oxo-2-(3-pentyl-3-phenylazetidin-1-yl)ethyl]-3-(1H-imidazol-4-yl)propionamide
CID 46195997
N-[(R)-1-(3-fluorobenzyl)-2-oxo-2-(3-pentyl-3-phenylazetidin-1-yl)ethyl]-3-(1H-imidazol-4-yl)propionamide
CID 46195865
ethyl 1-[2-(1H-imidazol-5-yl)acetyl]-4-phenylpiperidine-4-carboxylate
CID 172435471
3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 44211341
N-{2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethyl}-1-phenylcyclopentane-1-carboxamide
CID 124048782
3-(2-Fluorophenyl)-N-[2-(1H-imidazol-4-YL)ethyl]-3-phenylpropanamide
CID 45217936
N-{[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl}tetrahydro-2H-pyran-4-carboxamide
CID 56759007

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide (CID 129460123) is 4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide is O=C(NCCc1cnc[nH]1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide?
The InChIKey is ZULFRTUUZNIAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-21-6-2-5-20(14-21)19-4-1-3-18(13-19)15-24(8-11-30-12-9-24)23(29)27-10-7-22-16-26-17-28-22/h1-6,13-14,16-17H,7-12,15H2,(H,26,28)(H,27,29).
What are the key properties of 4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide?
4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 129460123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).