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

C18H16F2N4O3 — CID 21352833

IUPACN-[[(5S)-3-[3,5-difluoro-4-(5H-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=Cc4cncn4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H16F2N4O3/c1-10(25)22-6-14-8-24(18(26)27-14)12-3-15(19)17(16(20)4-12)11-2-13-5-21-9-23(13)7-11/h2-5,9,14H,6-8H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyMTTRTVWXKZJINX-AWEZNQCLSA-N
MW374.35 g/mol
LogP2.18
Rot. Bonds4

About 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

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 (PubChem CID 21352833) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-(5H-pyrrolo[1,2-c]imidazol-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID21352833
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-(5H-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=Cc4cncn4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H16F2N4O3/c1-10(25)22-6-14-8-24(18(26)27-14)12-3-15(19)17(16(20)4-12)11-2-13-5-21-9-23(13)7-11/h2-5,9,14H,6-8H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyMTTRTVWXKZJINX-AWEZNQCLSA-N
XLogP2.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[4-(5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352850
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-(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
N-[[(5S)-3-[3,5-difluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11683070
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[3-[3-fluoro-4-[4-[(5-methylimidazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274175
N-[[(5S)-3-[4-(4-cyanotriazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10641157
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[3-[3,5-difluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86297896
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-[(1S,5R)-3-hydroxy-3-thioniabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 153101011

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC[C@H]1CN(c2cc(F)c(C3=Cc4cncn4C3)c(F)c2)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is MTTRTVWXKZJINX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-10(25)22-6-14-8-24(18(26)27-14)12-3-15(19)17(16(20)4-12)11-2-13-5-21-9-23(13)7-11/h2-5,9,14H,6-8H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 374.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21352833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).