methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate

C19H18FN3O5 — CID 174461293

IUPACmethyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(N3CC([C@H](C)C(N)=O)OC3=O)cc2F)c1
InChIInChI=1S/C19H18FN3O5/c1-10(17(21)24)16-9-23(19(26)28-16)13-3-4-14(15(20)6-13)11-5-12(8-22-7-11)18(25)27-2/h3-8,10,16H,9H2,1-2H3,(H2,21,24)/t10-,16?/m0/s1
InChIKeyHKTHZPBMGIYSCE-VQVVDHBBSA-N
MW387.37 g/mol
LogP2.12
Rot. Bonds5

About methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate

methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate (PubChem CID 174461293) has the molecular formula C19H18FN3O5 and a molecular weight of 387.37 g/mol. Its IUPAC name is methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate
PubChem CID174461293
Molecular FormulaC19H18FN3O5
Molecular Weight387.37 g/mol
Exact Mass387.12
IUPAC Namemethyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(N3CC([C@H](C)C(N)=O)OC3=O)cc2F)c1
InChIInChI=1S/C19H18FN3O5/c1-10(17(21)24)16-9-23(19(26)28-16)13-3-4-14(15(20)6-13)11-5-12(8-22-7-11)18(25)27-2/h3-8,10,16H,9H2,1-2H3,(H2,21,24)/t10-,16?/m0/s1
InChIKeyHKTHZPBMGIYSCE-VQVVDHBBSA-N
XLogP2.12
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate 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

2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174448031
(2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461396
(2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461322
(2S)-2-[3-[3-fluoro-4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461310
2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461303
4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide
CID 23404153
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
bis[[(5R)-3-[3-fluoro-4-[6-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] carbonate
CID 121378684
5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one
CID 145297579
N-[5-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-pyridinyl]-2-hydroxypropanamide
CID 23438593
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-aminopropanoate
CID 11467041

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate (CID 174461293) is methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc(N3CC([C@H](C)C(N)=O)OC3=O)cc2F)c1.
What is the InChIKey of methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate?
The InChIKey is HKTHZPBMGIYSCE-VQVVDHBBSA-N. The full InChI is InChI=1S/C19H18FN3O5/c1-10(17(21)24)16-9-23(19(26)28-16)13-3-4-14(15(20)6-13)11-5-12(8-22-7-11)18(25)27-2/h3-8,10,16H,9H2,1-2H3,(H2,21,24)/t10-,16?/m0/s1.
What are the key properties of methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate?
methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate has a molecular weight of 387.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate is sourced from PubChem (CID 174461293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).