4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide

C20H25FN4O4 — CID 20598820

IUPAC4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide
SMILESCCNC(=O)C1C=C(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CCN1
InChIInChI=1S/C20H25FN4O4/c1-3-22-19(27)18-8-13(6-7-23-18)16-5-4-14(9-17(16)21)25-11-15(29-20(25)28)10-24-12(2)26/h4-5,8-9,15,18,23H,3,6-7,10-11H2,1-2H3,(H,22,27)(H,24,26)/t15-,18?/m0/s1
InChIKeyCILSPNNWHBTIIE-BUSXIPJBSA-N
MW404.44 g/mol
LogP1.17
Rot. Bonds6

About 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide

4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide (PubChem CID 20598820) has the molecular formula C20H25FN4O4 and a molecular weight of 404.44 g/mol. Its IUPAC name is 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide.

Molecular Properties

Compound Name4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide
PubChem CID20598820
Molecular FormulaC20H25FN4O4
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC Name4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide
SMILESCCNC(=O)C1C=C(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CCN1
InChIInChI=1S/C20H25FN4O4/c1-3-22-19(27)18-8-13(6-7-23-18)16-5-4-14(9-17(16)21)25-11-15(29-20(25)28)10-24-12(2)26/h4-5,8-9,15,18,23H,3,6-7,10-11H2,1-2H3,(H,22,27)(H,24,26)/t15-,18?/m0/s1
InChIKeyCILSPNNWHBTIIE-BUSXIPJBSA-N
XLogP1.17
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide with MolForge

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Related Compounds

N-[[(5S)-3-[4-[(1R,5R,6S)-6-amino-3-bicyclo[3.1.0]hex-2-enyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20786636
N-[[(5S)-3-[4-[(1R,5S,6R)-6-amino-3-bicyclo[3.1.0]hex-2-enyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10132307
N-[[3-[3-fluoro-4-[(1S)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57138415
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
N-[[(5R)-3-[4-[4-[(5S)-5-[(diaminomethylideneamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10345940
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide?
The IUPAC name of 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide (CID 20598820) is 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide.
What is the SMILES notation for 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide?
The canonical SMILES for 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide is CCNC(=O)C1C=C(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CCN1.
What is the InChIKey of 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide?
The InChIKey is CILSPNNWHBTIIE-BUSXIPJBSA-N. The full InChI is InChI=1S/C20H25FN4O4/c1-3-22-19(27)18-8-13(6-7-23-18)16-5-4-14(9-17(16)21)25-11-15(29-20(25)28)10-24-12(2)26/h4-5,8-9,15,18,23H,3,6-7,10-11H2,1-2H3,(H,22,27)(H,24,26)/t15-,18?/m0/s1.
What are the key properties of 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide?
4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-ethyl-1,2,3,6-tetrahydropyridine-6-carboxamide is sourced from PubChem (CID 20598820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).