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

C18H16F2N4O4 — CID 21352832

IUPACN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(C3=Cc4c[nH]c(=O)n4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H16F2N4O4/c1-9(25)21-6-13-8-24(18(27)28-13)11-3-14(19)16(15(20)4-11)10-2-12-5-22-17(26)23(12)7-10/h2-5,13H,6-8H2,1H3,(H,21,25)(H,22,26)/t13-/m0/s1
InChIKeyNZXXDCFSZDNOLA-ZDUSSCGKSA-N
MW390.35 g/mol
LogP1.47
Rot. Bonds4

About 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

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 (PubChem CID 21352832) has the molecular formula C18H16F2N4O4 and a molecular weight of 390.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID21352832
Molecular FormulaC18H16F2N4O4
Molecular Weight390.35 g/mol
Exact Mass390.11
IUPAC NameN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(C3=Cc4c[nH]c(=O)n4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H16F2N4O4/c1-9(25)21-6-13-8-24(18(27)28-13)11-3-14(19)16(15(20)4-11)10-2-12-5-22-17(26)23(12)7-10/h2-5,13H,6-8H2,1H3,(H,21,25)(H,22,26)/t13-/m0/s1
InChIKeyNZXXDCFSZDNOLA-ZDUSSCGKSA-N
XLogP1.47
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl] trifluoromethanesulfonate
CID 22479574
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-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl] trifluoromethanesulfonate
CID 20788928
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC[C@H]1CN(c2cc(F)c(C3=Cc4c[nH]c(=O)n4C3)c(F)c2)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is NZXXDCFSZDNOLA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16F2N4O4/c1-9(25)21-6-13-8-24(18(27)28-13)11-3-14(19)16(15(20)4-11)10-2-12-5-22-17(26)23(12)7-10/h2-5,13H,6-8H2,1H3,(H,21,25)(H,22,26)/t13-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 390.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21352832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).