N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H22FN3O4 — CID 57116641

IUPACN-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc([C@]34CNC[C@H]3COC4)c(F)c2)C(=O)O1
InChIInChI=1S/C18H22FN3O4/c1-11(23)21-6-14-7-22(17(24)26-14)13-2-3-15(16(19)4-13)18-9-20-5-12(18)8-25-10-18/h2-4,12,14,20H,5-10H2,1H3,(H,21,23)/t12-,14-,18-/m0/s1
InChIKeyICLRRLLVRNBQRG-YEWDVWPNSA-N
MW363.39 g/mol
LogP0.77
Rot. Bonds4

About N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57116641) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID57116641
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc([C@]34CNC[C@H]3COC4)c(F)c2)C(=O)O1
InChIInChI=1S/C18H22FN3O4/c1-11(23)21-6-14-7-22(17(24)26-14)13-2-3-15(16(19)4-13)18-9-20-5-12(18)8-25-10-18/h2-4,12,14,20H,5-10H2,1H3,(H,21,23)/t12-,14-,18-/m0/s1
InChIKeyICLRRLLVRNBQRG-YEWDVWPNSA-N
XLogP0.77
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[4-[(4aR,7aR)-1-formyl-3,4,4a,5,6,7-hexahydro-2H-pyrrolo[3,4-b]pyridin-7a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54125377
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
N-[[3-[4-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67981345
methyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 67509762
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 10286662
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[3-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11213626
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
N-[[(5S)-3-[3-fluoro-4-(piperidin-4-ylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273834
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[3-fluoro-4-(6-hydroxy-1,4-diazepan-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 73056504

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57116641) is N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc([C@]34CNC[C@H]3COC4)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ICLRRLLVRNBQRG-YEWDVWPNSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-11(23)21-6-14-7-22(17(24)26-14)13-2-3-15(16(19)4-13)18-9-20-5-12(18)8-25-10-18/h2-4,12,14,20H,5-10H2,1H3,(H,21,23)/t12-,14-,18-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 363.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57116641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).