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

C19H24FN3O4 — CID 11303432

IUPACN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(CCO)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C19H24FN3O4/c1-11(25)21-7-13-8-23(19(26)27-13)12-2-3-14(17(20)6-12)18-15-9-22(4-5-24)10-16(15)18/h2-3,6,13,15-16,18,24H,4-5,7-10H2,1H3,(H,21,25)/t13-,15-,16+,18?/m0/s1
InChIKeyKDEPJPVBAVXIGJ-MTKWDUKCSA-N
MW377.42 g/mol
LogP0.92
Rot. Bonds6

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

N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11303432) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11303432
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(CCO)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C19H24FN3O4/c1-11(25)21-7-13-8-23(19(26)27-13)12-2-3-14(17(20)6-12)18-15-9-22(4-5-24)10-16(15)18/h2-3,6,13,15-16,18,24H,4-5,7-10H2,1H3,(H,21,25)/t13-,15-,16+,18?/m0/s1
InChIKeyKDEPJPVBAVXIGJ-MTKWDUKCSA-N
XLogP0.92
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11303432) is N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(CCO)C[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is KDEPJPVBAVXIGJ-MTKWDUKCSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-11(25)21-7-13-8-23(19(26)27-13)12-2-3-14(17(20)6-12)18-15-9-22(4-5-24)10-16(15)18/h2-3,6,13,15-16,18,24H,4-5,7-10H2,1H3,(H,21,25)/t13-,15-,16+,18?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 377.42 g/mol, XLogP of 0.92, 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-[(1S,5R)-3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11303432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).