(5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C22H24FN3O3 — CID 94666162

IUPAC(5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H24FN3O3/c23-18-12-15(6-7-20(18)26-10-8-17(27)9-11-26)14-24-22(28)19-13-21(29-25-19)16-4-2-1-3-5-16/h1-7,12,17,21,27H,8-11,13-14H2,(H,24,28)/t21-/m1/s1
InChIKeyUYPBONZWAIMKNG-OAQYLSRUSA-N
MW397.45 g/mol
LogP2.92
Rot. Bonds5

About (5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

(5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 94666162) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID94666162
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H24FN3O3/c23-18-12-15(6-7-20(18)26-10-8-17(27)9-11-26)14-24-22(28)19-13-21(29-25-19)16-4-2-1-3-5-16/h1-7,12,17,21,27H,8-11,13-14H2,(H,24,28)/t21-/m1/s1
InChIKeyUYPBONZWAIMKNG-OAQYLSRUSA-N
XLogP2.92
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 94666162) is (5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of (5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is UYPBONZWAIMKNG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-18-12-15(6-7-20(18)26-10-8-17(27)9-11-26)14-24-22(28)19-13-21(29-25-19)16-4-2-1-3-5-16/h1-7,12,17,21,27H,8-11,13-14H2,(H,24,28)/t21-/m1/s1.
What are the key properties of (5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94666162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).