N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H20F2N4O4 — CID 21352830

IUPACN-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(C3=CC4CN(C)C(=O)N4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H20F2N4O4/c1-10(26)22-6-14-9-25(19(28)29-14)12-4-15(20)17(16(21)5-12)11-3-13-8-23(2)18(27)24(13)7-11/h3-5,13-14H,6-9H2,1-2H3,(H,22,26)/t13?,14-/m0/s1
InChIKeyIVNDAZIKZNGGMK-KZUDCZAMSA-N
MW406.39 g/mol
LogP1.56
Rot. Bonds4

About N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 21352830) has the molecular formula C19H20F2N4O4 and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID21352830
Molecular FormulaC19H20F2N4O4
Molecular Weight406.39 g/mol
Exact Mass406.15
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(C3=CC4CN(C)C(=O)N4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H20F2N4O4/c1-10(26)22-6-14-9-25(19(28)29-14)12-4-15(20)17(16(21)5-12)11-3-13-8-23(2)18(27)24(13)7-11/h3-5,13-14H,6-9H2,1-2H3,(H,22,26)/t13?,14-/m0/s1
InChIKeyIVNDAZIKZNGGMK-KZUDCZAMSA-N
XLogP1.56
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[3,5-difluoro-4-(3-oxo-2,5-dihydropyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352832
N-[[(5S)-3-[3,5-difluoro-4-(5H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352833
3-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 22505084
N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57194489
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-3-hydroxy-3-thioniabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 153101011
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methanol
CID 166748430
N-[[(5S)-3-[4-(4-aminopiperidin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943046
methyl N-[(1R,5S)-3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 59996387
[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl] trifluoromethanesulfonate
CID 20788928

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 21352830) is N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(C3=CC4CN(C)C(=O)N4C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is IVNDAZIKZNGGMK-KZUDCZAMSA-N. The full InChI is InChI=1S/C19H20F2N4O4/c1-10(26)22-6-14-9-25(19(28)29-14)12-4-15(20)17(16(21)5-12)11-3-13-8-23(2)18(27)24(13)7-11/h3-5,13-14H,6-9H2,1-2H3,(H,22,26)/t13?,14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 406.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 21352830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).