methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate

C21H24ClNO4 — CID 10572446

IUPACmethyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CC(C)N2COC(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C21H24ClNO4/c1-15(10-16-6-8-19(9-7-16)26-13-21(24)25-2)23-12-20(27-14-23)17-4-3-5-18(22)11-17/h3-9,11,15,20H,10,12-14H2,1-2H3
InChIKeyTVDRTVVBOXMENR-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.85
Rot. Bonds7

About methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate

methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate (PubChem CID 10572446) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate
PubChem CID10572446
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Namemethyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CC(C)N2COC(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C21H24ClNO4/c1-15(10-16-6-8-19(9-7-16)26-13-21(24)25-2)23-12-20(27-14-23)17-4-3-5-18(22)11-17/h3-9,11,15,20H,10,12-14H2,1-2H3
InChIKeyTVDRTVVBOXMENR-UHFFFAOYSA-N
XLogP3.85
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate (CID 10572446) is methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate is COC(=O)COc1ccc(CC(C)N2COC(c3cccc(Cl)c3)C2)cc1.
What is the InChIKey of methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate?
The InChIKey is TVDRTVVBOXMENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO4/c1-15(10-16-6-8-19(9-7-16)26-13-21(24)25-2)23-12-20(27-14-23)17-4-3-5-18(22)11-17/h3-9,11,15,20H,10,12-14H2,1-2H3.
What are the key properties of methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate?
methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate has a molecular weight of 389.88 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate is sourced from PubChem (CID 10572446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).