N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide

C23H25FN4O3 — CID 23447896

IUPACN-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(NCCCN1CCN(c2cc(F)ccc2O)CC1)c1conc1-c1ccccc1
InChIInChI=1S/C23H25FN4O3/c24-18-7-8-21(29)20(15-18)28-13-11-27(12-14-28)10-4-9-25-23(30)19-16-31-26-22(19)17-5-2-1-3-6-17/h1-3,5-8,15-16,29H,4,9-14H2,(H,25,30)
InChIKeyILBABJIZPCKZDC-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.13
Rot. Bonds7

About N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide

N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 23447896) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID23447896
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(NCCCN1CCN(c2cc(F)ccc2O)CC1)c1conc1-c1ccccc1
InChIInChI=1S/C23H25FN4O3/c24-18-7-8-21(29)20(15-18)28-13-11-27(12-14-28)10-4-9-25-23(30)19-16-31-26-22(19)17-5-2-1-3-6-17/h1-3,5-8,15-16,29H,4,9-14H2,(H,25,30)
InChIKeyILBABJIZPCKZDC-UHFFFAOYSA-N
XLogP3.13
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Methoxyphenyl)piperazinyl 5-methyl-3-phenylisoxazol-4-yl ketone
CID 1366697
5-methyl-3-phenyl-N-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,2-oxazole-4-carboxamide
CID 9870675
N-{3-[4-[5-Fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinyl]propyl}-5-methyl-3-phenylisoxazole-4-carboxamide
CID 10229774
4-(2-Fluorophenyl)piperazinyl 5-methyl-3-phenylisoxazol-4-yl ketone
CID 4984950
4-(4-Fluorophenyl)piperazinyl 5-methyl-3-phenylisoxazol-4-yl ketone
CID 1164498
5-(3-Fluorophenyl)-3-methyl-N-{3-[methyl(phenyl)amino]propyl}-1,2-oxazole-4-carboxamide
CID 46097229
N-[3-[4-(4-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 9826458
N-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 9868488
n-[3-[4-(4-Fluoro-2-methylphenyl)-1-piperazinyl]propyl]-5-methyl-3-phenylisoxazole-4-carboxamide
CID 9889243
N-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-3-phenyl-5-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 22621984
3-(4-fluorophenyl)-N-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 23447860
3-(4-fluorophenyl)-N-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,2-oxazole-4-carboxamide
CID 23447861

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 23447896) is N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide is O=C(NCCCN1CCN(c2cc(F)ccc2O)CC1)c1conc1-c1ccccc1.
What is the InChIKey of N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ILBABJIZPCKZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-18-7-8-21(29)20(15-18)28-13-11-27(12-14-28)10-4-9-25-23(30)19-16-31-26-22(19)17-5-2-1-3-6-17/h1-3,5-8,15-16,29H,4,9-14H2,(H,25,30).
What are the key properties of N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide?
N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-fluoro-2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 23447896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).