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

C22H25FN2O3 — CID 14368963

IUPAC5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CN3CCC(O)(c4ccc(F)cc4)CC3)OC2=O)c1
InChIInChI=1S/C22H25FN2O3/c1-16-3-2-4-19(13-16)25-15-20(28-21(25)26)14-24-11-9-22(27,10-12-24)17-5-7-18(23)8-6-17/h2-8,13,20,27H,9-12,14-15H2,1H3
InChIKeyLSEJBRKJNDEFCB-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.44
Rot. Bonds4

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

5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 14368963) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID14368963
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CN3CCC(O)(c4ccc(F)cc4)CC3)OC2=O)c1
InChIInChI=1S/C22H25FN2O3/c1-16-3-2-4-19(13-16)25-15-20(28-21(25)26)14-24-11-9-22(27,10-12-24)17-5-7-18(23)8-6-17/h2-8,13,20,27H,9-12,14-15H2,1H3
InChIKeyLSEJBRKJNDEFCB-UHFFFAOYSA-N
XLogP3.44
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 14368963) is 5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cccc(N2CC(CN3CCC(O)(c4ccc(F)cc4)CC3)OC2=O)c1.
What is the InChIKey of 5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is LSEJBRKJNDEFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-16-3-2-4-19(13-16)25-15-20(28-21(25)26)14-24-11-9-22(27,10-12-24)17-5-7-18(23)8-6-17/h2-8,13,20,27H,9-12,14-15H2,1H3.
What are the key properties of 5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 384.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).