N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H23F2N3O3 — CID 11314611

IUPACN-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCC(C)(F)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H23F2N3O3/c1-12(24)21-10-14-11-23(17(25)26-14)13-3-4-16(15(19)9-13)22-7-5-18(2,20)6-8-22/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyYXTYRPFLERNOHB-AWEZNQCLSA-N
MW367.40 g/mol
LogP2.62
Rot. Bonds4

About N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11314611) has the molecular formula C18H23F2N3O3 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11314611
Molecular FormulaC18H23F2N3O3
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCC(C)(F)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H23F2N3O3/c1-12(24)21-10-14-11-23(17(25)26-14)13-3-4-16(15(19)9-13)22-7-5-18(2,20)6-8-22/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyYXTYRPFLERNOHB-AWEZNQCLSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide 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 N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11314611) is N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCC(C)(F)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YXTYRPFLERNOHB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23F2N3O3/c1-12(24)21-10-14-11-23(17(25)26-14)13-3-4-16(15(19)9-13)22-7-5-18(2,20)6-8-22/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 367.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11314611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).