ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate

C19H25FN4O5 — CID 67578710

IUPACethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCN(c2ccc(N3CC(N(C)C(C)=O)OC3=O)cc2F)C1
InChIInChI=1S/C19H25FN4O5/c1-4-28-18(26)21-13-7-8-23(10-13)16-6-5-14(9-15(16)20)24-11-17(29-19(24)27)22(3)12(2)25/h5-6,9,13,17H,4,7-8,10-11H2,1-3H3,(H,21,26)
InChIKeyHOSDULMFTYEFJR-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.91
Rot. Bonds5

About ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate

ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate (PubChem CID 67578710) has the molecular formula C19H25FN4O5 and a molecular weight of 408.43 g/mol. Its IUPAC name is ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate
PubChem CID67578710
Molecular FormulaC19H25FN4O5
Molecular Weight408.43 g/mol
Exact Mass408.18
IUPAC Nameethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCN(c2ccc(N3CC(N(C)C(C)=O)OC3=O)cc2F)C1
InChIInChI=1S/C19H25FN4O5/c1-4-28-18(26)21-13-7-8-23(10-13)16-6-5-14(9-15(16)20)24-11-17(29-19(24)27)22(3)12(2)25/h5-6,9,13,17H,4,7-8,10-11H2,1-3H3,(H,21,26)
InChIKeyHOSDULMFTYEFJR-UHFFFAOYSA-N
XLogP1.91
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate 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

N-[3-[3-fluoro-4-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67577632
N-[3-[3-fluoro-4-[3-(hydroxymethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67586516
ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate
CID 70195667
N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 91166814
N-[1-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrolidin-3-yl]acetamide
CID 22014500
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate
CID 95306784
N-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 70195606
O-methyl N-[3-[4-[4-[2-(2,3-dihydroxypropoxy)acetyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamothioate
CID 25165334
O-methyl N-[(5S)-3-[4-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamothioate
CID 91557168
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
ethyl N-[[(5S)-3-[4-[4-(cyanomethylidene)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 163637440

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate (CID 67578710) is ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate is CCOC(=O)NC1CCN(c2ccc(N3CC(N(C)C(C)=O)OC3=O)cc2F)C1.
What is the InChIKey of ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate?
The InChIKey is HOSDULMFTYEFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O5/c1-4-28-18(26)21-13-7-8-23(10-13)16-6-5-14(9-15(16)20)24-11-17(29-19(24)27)22(3)12(2)25/h5-6,9,13,17H,4,7-8,10-11H2,1-3H3,(H,21,26).
What are the key properties of ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate?
ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate has a molecular weight of 408.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[4-[5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 67578710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).