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

C21H23FN4O5 — CID 10202965

IUPACN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4C(COc5ccon5)[C@@H]4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H23FN4O5/c1-12(27)23-7-14-8-26(21(28)31-14)13-2-3-19(18(22)6-13)25-9-15-16(10-25)17(15)11-29-20-4-5-30-24-20/h2-6,14-17H,7-11H2,1H3,(H,23,27)/t14-,15-,16+,17?/m0/s1
InChIKeyVHZZWNZCSSXUDK-PMRDEQMMSA-N
MW430.44 g/mol
LogP2.04
Rot. Bonds7

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

N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10202965) has the molecular formula C21H23FN4O5 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10202965
Molecular FormulaC21H23FN4O5
Molecular Weight430.44 g/mol
Exact Mass430.17
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4C(COc5ccon5)[C@@H]4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H23FN4O5/c1-12(27)23-7-14-8-26(21(28)31-14)13-2-3-19(18(22)6-13)25-9-15-16(10-25)17(15)11-29-20-4-5-30-24-20/h2-6,14-17H,7-11H2,1H3,(H,23,27)/t14-,15-,16+,17?/m0/s1
InChIKeyVHZZWNZCSSXUDK-PMRDEQMMSA-N
XLogP2.04
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10202965) is N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4C(COc5ccon5)[C@@H]4C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VHZZWNZCSSXUDK-PMRDEQMMSA-N. The full InChI is InChI=1S/C21H23FN4O5/c1-12(27)23-7-14-8-26(21(28)31-14)13-2-3-19(18(22)6-13)25-9-15-16(10-25)17(15)11-29-20-4-5-30-24-20/h2-6,14-17H,7-11H2,1H3,(H,23,27)/t14-,15-,16+,17?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 430.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-(1,2-oxazol-3-yloxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10202965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).