N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

C20H24FN3O5 — CID 11373112

IUPACN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C(=O)CO)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C20H24FN3O5/c1-2-17(26)22-6-12-7-24(20(28)29-12)11-3-4-13(16(21)5-11)19-14-8-23(9-15(14)19)18(27)10-25/h3-5,12,14-15,19,25H,2,6-10H2,1H3,(H,22,26)/t12-,14-,15+,19?/m0/s1
InChIKeyWBXYMTQYSWFJDU-DURMYVLRSA-N
MW405.43 g/mol
LogP0.84
Rot. Bonds6

About N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (PubChem CID 11373112) has the molecular formula C20H24FN3O5 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
PubChem CID11373112
Molecular FormulaC20H24FN3O5
Molecular Weight405.43 g/mol
Exact Mass405.17
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C(=O)CO)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C20H24FN3O5/c1-2-17(26)22-6-12-7-24(20(28)29-12)11-3-4-13(16(21)5-11)19-14-8-23(9-15(14)19)18(27)10-25/h3-5,12,14-15,19,25H,2,6-10H2,1H3,(H,22,26)/t12-,14-,15+,19?/m0/s1
InChIKeyWBXYMTQYSWFJDU-DURMYVLRSA-N
XLogP0.84
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (CID 11373112) is N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is CCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C(=O)CO)C[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The InChIKey is WBXYMTQYSWFJDU-DURMYVLRSA-N. The full InChI is InChI=1S/C20H24FN3O5/c1-2-17(26)22-6-12-7-24(20(28)29-12)11-3-4-13(16(21)5-11)19-14-8-23(9-15(14)19)18(27)10-25/h3-5,12,14-15,19,25H,2,6-10H2,1H3,(H,22,26)/t12-,14-,15+,19?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide has a molecular weight of 405.43 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(2-hydroxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is sourced from PubChem (CID 11373112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).