N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide

C19H19ClN2O4 — CID 16921088

IUPACN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC1CN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C19H19ClN2O4/c1-13-5-2-3-8-17(13)25-12-18(23)21-10-16-11-22(19(24)26-16)15-7-4-6-14(20)9-15/h2-9,16H,10-12H2,1H3,(H,21,23)
InChIKeyJIKCTLSXDGNXLI-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.17
Rot. Bonds6

About N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide

N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 16921088) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
PubChem CID16921088
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC1CN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C19H19ClN2O4/c1-13-5-2-3-8-17(13)25-12-18(23)21-10-16-11-22(19(24)26-16)15-7-4-6-14(20)9-15/h2-9,16H,10-12H2,1H3,(H,21,23)
InChIKeyJIKCTLSXDGNXLI-UHFFFAOYSA-N
XLogP3.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide (CID 16921088) is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCC1CN(c2cccc(Cl)c2)C(=O)O1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is JIKCTLSXDGNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-13-5-2-3-8-17(13)25-12-18(23)21-10-16-11-22(19(24)26-16)15-7-4-6-14(20)9-15/h2-9,16H,10-12H2,1H3,(H,21,23).
What are the key properties of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide?
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 374.82 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 16921088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).