N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H26FN5O6 — CID 73355582

IUPACN-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCON(C(=O)CO)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H26FN5O6/c1-15(31)25-12-18-13-28(23(33)35-18)17-3-4-19(20(24)10-17)16-2-5-21(26-11-16)27-6-7-29(22(32)14-30)34-9-8-27/h2-5,10-11,18,30H,6-9,12-14H2,1H3,(H,25,31)/t18-/m0/s1
InChIKeyUFERERCKBVFQTH-SFHVURJKSA-N
MW487.49 g/mol
LogP0.92
Rot. Bonds6

About N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 73355582) has the molecular formula C23H26FN5O6 and a molecular weight of 487.49 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID73355582
Molecular FormulaC23H26FN5O6
Molecular Weight487.49 g/mol
Exact Mass487.19
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCON(C(=O)CO)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H26FN5O6/c1-15(31)25-12-18-13-28(23(33)35-18)17-3-4-19(20(24)10-17)16-2-5-21(26-11-16)27-6-7-29(22(32)14-30)34-9-8-27/h2-5,10-11,18,30H,6-9,12-14H2,1H3,(H,25,31)/t18-/m0/s1
InChIKeyUFERERCKBVFQTH-SFHVURJKSA-N
XLogP0.92
TPSA124.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 73355582) is N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCON(C(=O)CO)CC4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UFERERCKBVFQTH-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26FN5O6/c1-15(31)25-12-18-13-28(23(33)35-18)17-3-4-19(20(24)10-17)16-2-5-21(26-11-16)27-6-7-29(22(32)14-30)34-9-8-27/h2-5,10-11,18,30H,6-9,12-14H2,1H3,(H,25,31)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 487.49 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 73355582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).