methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate

C17H22FN3O4 — CID 173302482

IUPACmethyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate
SMILESCOC(=O)N[C@H]1CN(c2ccc(N3CC(C)OC3=O)cc2F)C[C@H]1C
InChIInChI=1S/C17H22FN3O4/c1-10-7-20(9-14(10)19-16(22)24-3)15-5-4-12(6-13(15)18)21-8-11(2)25-17(21)23/h4-6,10-11,14H,7-9H2,1-3H3,(H,19,22)/t10-,11?,14+/m1/s1
InChIKeyPKJMWOSFARAAJL-JENJKZFGSA-N
MW351.38 g/mol
LogP2.35
Rot. Bonds3

About methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate

methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate (PubChem CID 173302482) has the molecular formula C17H22FN3O4 and a molecular weight of 351.38 g/mol. Its IUPAC name is methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate
PubChem CID173302482
Molecular FormulaC17H22FN3O4
Molecular Weight351.38 g/mol
Exact Mass351.16
IUPAC Namemethyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate
SMILESCOC(=O)N[C@H]1CN(c2ccc(N3CC(C)OC3=O)cc2F)C[C@H]1C
InChIInChI=1S/C17H22FN3O4/c1-10-7-20(9-14(10)19-16(22)24-3)15-5-4-12(6-13(15)18)21-8-11(2)25-17(21)23/h4-6,10-11,14H,7-9H2,1-3H3,(H,19,22)/t10-,11?,14+/m1/s1
InChIKeyPKJMWOSFARAAJL-JENJKZFGSA-N
XLogP2.35
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-[1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-methylpyrrolidin-3-yl]-2-hydroxyacetamide
CID 18629639
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-[3-[3-fluoro-4-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67577632
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 142270175
3-[4-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazin-1-yl]-3-oxopropanenitrile
CID 91333572
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70196444
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
methyl N-[[(5S)-3-[3-fluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 126494437
methyl N-[(5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]carbamate
CID 71588851
methyl 3-[(5S)-3-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 149052775

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate (CID 173302482) is methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate is COC(=O)N[C@H]1CN(c2ccc(N3CC(C)OC3=O)cc2F)C[C@H]1C.
What is the InChIKey of methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate?
The InChIKey is PKJMWOSFARAAJL-JENJKZFGSA-N. The full InChI is InChI=1S/C17H22FN3O4/c1-10-7-20(9-14(10)19-16(22)24-3)15-5-4-12(6-13(15)18)21-8-11(2)25-17(21)23/h4-6,10-11,14H,7-9H2,1-3H3,(H,19,22)/t10-,11?,14+/m1/s1.
What are the key properties of methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate?
methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate has a molecular weight of 351.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 173302482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).