3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one

C21H23FN2O3 — CID 14368956

IUPAC3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(O)(c3ccccc3)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O3/c22-17-6-8-18(9-7-17)24-15-19(27-20(24)25)14-23-12-10-21(26,11-13-23)16-4-2-1-3-5-16/h1-9,19,26H,10-15H2
InChIKeyBNORMDDEBMCXSN-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.13
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one

3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 14368956) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID14368956
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(O)(c3ccccc3)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O3/c22-17-6-8-18(9-7-17)24-15-19(27-20(24)25)14-23-12-10-21(26,11-13-23)16-4-2-1-3-5-16/h1-9,19,26H,10-15H2
InChIKeyBNORMDDEBMCXSN-UHFFFAOYSA-N
XLogP3.13
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(5R)-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
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(5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
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(5S)-5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 14368956) is 3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1OC(CN2CCC(O)(c3ccccc3)CC2)CN1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is BNORMDDEBMCXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-17-6-8-18(9-7-17)24-15-19(27-20(24)25)14-23-12-10-21(26,11-13-23)16-4-2-1-3-5-16/h1-9,19,26H,10-15H2.
What are the key properties of 3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).