(5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one

C19H23FN4O2 — CID 124980380

IUPAC(5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@]1(C2CCN(Cc3cnc[nH]3)CC2)CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C19H23FN4O2/c1-19(12-24(18(25)26-19)17-4-2-15(20)3-5-17)14-6-8-23(9-7-14)11-16-10-21-13-22-16/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,21,22)/t19-/m1/s1
InChIKeyMIJMHAVONAURPJ-LJQANCHMSA-N
MW358.42 g/mol
LogP3.18
Rot. Bonds4

About (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one

(5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 124980380) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID124980380
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@]1(C2CCN(Cc3cnc[nH]3)CC2)CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C19H23FN4O2/c1-19(12-24(18(25)26-19)17-4-2-15(20)3-5-17)14-6-8-23(9-7-14)11-16-10-21-13-22-16/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,21,22)/t19-/m1/s1
InChIKeyMIJMHAVONAURPJ-LJQANCHMSA-N
XLogP3.18
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one (CID 124980380) is (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one is C[C@]1(C2CCN(Cc3cnc[nH]3)CC2)CN(c2ccc(F)cc2)C(=O)O1.
What is the InChIKey of (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is MIJMHAVONAURPJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-19(12-24(18(25)26-19)17-4-2-15(20)3-5-17)14-6-8-23(9-7-14)11-16-10-21-13-22-16/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
(5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 358.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124980380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).