2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide

C21H20ClN3O5 — CID 11546456

IUPAC2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccccc1Cl
InChIInChI=1S/C21H20ClN3O5/c22-18-4-2-1-3-17(18)20(27)23-11-16-12-25(21(28)30-16)15-7-5-14(6-8-15)24-9-10-29-13-19(24)26/h1-8,16H,9-13H2,(H,23,27)/t16-/m0/s1
InChIKeyXOTGRISGKWUOHU-INIZCTEOSA-N
MW429.86 g/mol
LogP2.46
Rot. Bonds5

About 2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide

2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 11546456) has the molecular formula C21H20ClN3O5 and a molecular weight of 429.86 g/mol. Its IUPAC name is 2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID11546456
Molecular FormulaC21H20ClN3O5
Molecular Weight429.86 g/mol
Exact Mass429.11
IUPAC Name2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccccc1Cl
InChIInChI=1S/C21H20ClN3O5/c22-18-4-2-1-3-17(18)20(27)23-11-16-12-25(21(28)30-16)15-7-5-14(6-8-15)24-9-10-29-13-19(24)26/h1-8,16H,9-13H2,(H,23,27)/t16-/m0/s1
InChIKeyXOTGRISGKWUOHU-INIZCTEOSA-N
XLogP2.46
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide (CID 11546456) is 2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide is O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is XOTGRISGKWUOHU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20ClN3O5/c22-18-4-2-1-3-17(18)20(27)23-11-16-12-25(21(28)30-16)15-7-5-14(6-8-15)24-9-10-29-13-19(24)26/h1-8,16H,9-13H2,(H,23,27)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide?
2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 429.86 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 11546456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).