(1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide

C18H21FN4O4 — CID 11337850

IUPAC(1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C(N)=O)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C18H21FN4O4/c1-9(24)21-5-11-6-23(18(26)27-11)10-2-3-12(15(19)4-10)16-13-7-22(17(20)25)8-14(13)16/h2-4,11,13-14,16H,5-8H2,1H3,(H2,20,25)(H,21,24)/t11-,13-,14+,16?/m0/s1
InChIKeyWJGTUSFPCOLOBO-CLJRNHLWSA-N
MW376.39 g/mol
LogP1.01
Rot. Bonds4

About (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 11337850) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID11337850
Molecular FormulaC18H21FN4O4
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC Name(1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C(N)=O)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C18H21FN4O4/c1-9(24)21-5-11-6-23(18(26)27-11)10-2-3-12(15(19)4-10)16-13-7-22(17(20)25)8-14(13)16/h2-4,11,13-14,16H,5-8H2,1H3,(H2,20,25)(H,21,24)/t11-,13-,14+,16?/m0/s1
InChIKeyWJGTUSFPCOLOBO-CLJRNHLWSA-N
XLogP1.01
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 11337850) is (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C(N)=O)C[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is WJGTUSFPCOLOBO-CLJRNHLWSA-N. The full InChI is InChI=1S/C18H21FN4O4/c1-9(24)21-5-11-6-23(18(26)27-11)10-2-3-12(15(19)4-10)16-13-7-22(17(20)25)8-14(13)16/h2-4,11,13-14,16H,5-8H2,1H3,(H2,20,25)(H,21,24)/t11-,13-,14+,16?/m0/s1.
What are the key properties of (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 11337850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).