ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate

C19H25FN4O6 — CID 70195667

IUPACethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C[C@H]1O
InChIInChI=1S/C19H25FN4O6/c1-3-29-18(27)22-15-9-23(10-17(15)26)16-5-4-12(6-14(16)20)24-8-13(30-19(24)28)7-21-11(2)25/h4-6,13,15,17,26H,3,7-10H2,1-2H3,(H,21,25)(H,22,27)/t13-,15+,17+/m0/s1
InChIKeyVMDQZHVVJBTDKS-YSVLISHTSA-N
MW424.43 g/mol
LogP0.58
Rot. Bonds6

About ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate

ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate (PubChem CID 70195667) has the molecular formula C19H25FN4O6 and a molecular weight of 424.43 g/mol. Its IUPAC name is ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate
PubChem CID70195667
Molecular FormulaC19H25FN4O6
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC Nameethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C[C@H]1O
InChIInChI=1S/C19H25FN4O6/c1-3-29-18(27)22-15-9-23(10-17(15)26)16-5-4-12(6-14(16)20)24-8-13(30-19(24)28)7-21-11(2)25/h4-6,13,15,17,26H,3,7-10H2,1-2H3,(H,21,25)(H,22,27)/t13-,15+,17+/m0/s1
InChIKeyVMDQZHVVJBTDKS-YSVLISHTSA-N
XLogP0.58
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
methyl N-[(3S,4S)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-methylpyrrolidin-3-yl]carbamate
CID 70197333
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-methylpyrrolidin-3-yl]-2-hydroxyacetamide
CID 18629639
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18391862
N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-methyl-7-oxo-3-azabicyclo[3.1.1]heptan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10904865
ethyl 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-azaspiro[2.5]octane-2-carboxylate
CID 11270450
N-[[(5S)-3-[4-[3-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493
N-[[3-[3-fluoro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462598

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate?
The IUPAC name of 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) is ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate is CCOC(=O)N[C@@H]1CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C[C@H]1O.
What is the InChIKey of ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate?
The InChIKey is VMDQZHVVJBTDKS-YSVLISHTSA-N. The full InChI is InChI=1S/C19H25FN4O6/c1-3-29-18(27)22-15-9-23(10-17(15)26)16-5-4-12(6-14(16)20)24-8-13(30-19(24)28)7-21-11(2)25/h4-6,13,15,17,26H,3,7-10H2,1-2H3,(H,21,25)(H,22,27)/t13-,15+,17+/m0/s1.
What are the key properties of ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate?
ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate has a molecular weight of 424.43 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R,4R)-1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-hydroxypyrrolidin-3-yl]carbamate is sourced from PubChem (CID 70195667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).