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

C17H20N2O4 — CID 11771468

IUPACN-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[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]4COC[C@@H]34)cc2)C(=O)O1
InChIInChI=1S/C17H20N2O4/c1-10(20)18-6-13-7-19(17(21)23-13)12-4-2-11(3-5-12)16-14-8-22-9-15(14)16/h2-5,13-16H,6-9H2,1H3,(H,18,20)/t13-,14-,15+,16?/m0/s1
InChIKeyAMLLDDCSMPFAJP-LSVZVQIISA-N
MW316.36 g/mol
LogP1.51
Rot. Bonds4

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

N-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11771468) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11771468
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[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]4COC[C@@H]34)cc2)C(=O)O1
InChIInChI=1S/C17H20N2O4/c1-10(20)18-6-13-7-19(17(21)23-13)12-4-2-11(3-5-12)16-14-8-22-9-15(14)16/h2-5,13-16H,6-9H2,1H3,(H,18,20)/t13-,14-,15+,16?/m0/s1
InChIKeyAMLLDDCSMPFAJP-LSVZVQIISA-N
XLogP1.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11771468) is N-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[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-[4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[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]4COC[C@@H]34)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is AMLLDDCSMPFAJP-LSVZVQIISA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10(20)18-6-13-7-19(17(21)23-13)12-4-2-11(3-5-12)16-14-8-22-9-15(14)16/h2-5,13-16H,6-9H2,1H3,(H,18,20)/t13-,14-,15+,16?/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11771468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).