N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide

C16H20ClN3O5 — CID 12005802

IUPACN'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC1OCCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O5/c1-24-8-6-18-14(21)15(22)19-10-13-20(7-9-25-13)16(23)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyZFVNSHDEZHEZCC-UHFFFAOYSA-N
MW369.81 g/mol
LogP0.02
Rot. Bonds6

About N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide

N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide (PubChem CID 12005802) has the molecular formula C16H20ClN3O5 and a molecular weight of 369.81 g/mol. Its IUPAC name is N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide
PubChem CID12005802
Molecular FormulaC16H20ClN3O5
Molecular Weight369.81 g/mol
Exact Mass369.11
IUPAC NameN'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC1OCCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O5/c1-24-8-6-18-14(21)15(22)19-10-13-20(7-9-25-13)16(23)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyZFVNSHDEZHEZCC-UHFFFAOYSA-N
XLogP0.02
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide (CID 12005802) is N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NCC1OCCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide?
The InChIKey is ZFVNSHDEZHEZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O5/c1-24-8-6-18-14(21)15(22)19-10-13-20(7-9-25-13)16(23)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide?
N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide has a molecular weight of 369.81 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 12005802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).