[2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate

C21H24FN3O6 — CID 70169966

IUPAC[2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CC=C(c2ccc(N3C[C@H](CCC(N)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C21H24FN3O6/c1-13(26)30-12-20(28)24-8-6-14(7-9-24)17-4-2-15(10-18(17)22)25-11-16(31-21(25)29)3-5-19(23)27/h2,4,6,10,16H,3,5,7-9,11-12H2,1H3,(H2,23,27)/t16-/m0/s1
InChIKeyNIWOOOWVGRIAIF-INIZCTEOSA-N
MW433.44 g/mol
LogP1.60
Rot. Bonds7

About [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate

[2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate (PubChem CID 70169966) has the molecular formula C21H24FN3O6 and a molecular weight of 433.44 g/mol. Its IUPAC name is [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
PubChem CID70169966
Molecular FormulaC21H24FN3O6
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name[2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CC=C(c2ccc(N3C[C@H](CCC(N)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C21H24FN3O6/c1-13(26)30-12-20(28)24-8-6-14(7-9-24)17-4-2-15(10-18(17)22)25-11-16(31-21(25)29)3-5-19(23)27/h2,4,6,10,16H,3,5,7-9,11-12H2,1H3,(H2,23,27)/t16-/m0/s1
InChIKeyNIWOOOWVGRIAIF-INIZCTEOSA-N
XLogP1.60
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
CID 70117574
[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
CID 54137782
(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356643
N-[[(5S)-3-[3-fluoro-4-[1-(1-methylpyrrole-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 11248076
N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11236107
3-[3-[3-fluoro-4-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 91512763
3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 69311804
4-[4-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-N-methyl-4-oxobutanamide
CID 142648239
3-[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 175036032
[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] butanoate
CID 57157683
(5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69364702
N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352840

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate (CID 70169966) is [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate is CC(=O)OCC(=O)N1CC=C(c2ccc(N3C[C@H](CCC(N)=O)OC3=O)cc2F)CC1.
What is the InChIKey of [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate?
The InChIKey is NIWOOOWVGRIAIF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24FN3O6/c1-13(26)30-12-20(28)24-8-6-14(7-9-24)17-4-2-15(10-18(17)22)25-11-16(31-21(25)29)3-5-19(23)27/h2,4,6,10,16H,3,5,7-9,11-12H2,1H3,(H2,23,27)/t16-/m0/s1.
What are the key properties of [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate?
[2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate has a molecular weight of 433.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 70169966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).