N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H27F2N3O4 — CID 11315865

IUPACN-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCOCC1(F)CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C20H27F2N3O4/c1-3-28-13-20(22)6-8-24(9-7-20)18-5-4-15(10-17(18)21)25-12-16(29-19(25)27)11-23-14(2)26/h4-5,10,16H,3,6-9,11-13H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyMAKYHLSPEQZPAV-INIZCTEOSA-N
MW411.45 g/mol
LogP2.63
Rot. Bonds7

About N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11315865) has the molecular formula C20H27F2N3O4 and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11315865
Molecular FormulaC20H27F2N3O4
Molecular Weight411.45 g/mol
Exact Mass411.20
IUPAC NameN-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCOCC1(F)CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C20H27F2N3O4/c1-3-28-13-20(22)6-8-24(9-7-20)18-5-4-15(10-17(18)21)25-12-16(29-19(25)27)11-23-14(2)26/h4-5,10,16H,3,6-9,11-13H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyMAKYHLSPEQZPAV-INIZCTEOSA-N
XLogP2.63
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11315865) is N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CCOCC1(F)CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1.
What is the InChIKey of N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is MAKYHLSPEQZPAV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27F2N3O4/c1-3-28-13-20(22)6-8-24(9-7-20)18-5-4-15(10-17(18)21)25-12-16(29-19(25)27)11-23-14(2)26/h4-5,10,16H,3,6-9,11-13H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 411.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11315865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).