4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one

C17H21NO5 — CID 87392814

IUPAC4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one
SMILESC#CCN1C(=O)OCC1Cc1ccc(OCCOCOC)cc1
InChIInChI=1S/C17H21NO5/c1-3-8-18-15(12-23-17(18)19)11-14-4-6-16(7-5-14)22-10-9-21-13-20-2/h1,4-7,15H,8-13H2,2H3
InChIKeyWWFDQCKJBWXPBJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.68
Rot. Bonds9

About 4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one

4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one (PubChem CID 87392814) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one
PubChem CID87392814
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one
SMILESC#CCN1C(=O)OCC1Cc1ccc(OCCOCOC)cc1
InChIInChI=1S/C17H21NO5/c1-3-8-18-15(12-23-17(18)19)11-14-4-6-16(7-5-14)22-10-9-21-13-20-2/h1,4-7,15H,8-13H2,2H3
InChIKeyWWFDQCKJBWXPBJ-UHFFFAOYSA-N
XLogP1.68
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one (CID 87392814) is 4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one is C#CCN1C(=O)OCC1Cc1ccc(OCCOCOC)cc1.
What is the InChIKey of 4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one?
The InChIKey is WWFDQCKJBWXPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-3-8-18-15(12-23-17(18)19)11-14-4-6-16(7-5-14)22-10-9-21-13-20-2/h1,4-7,15H,8-13H2,2H3.
What are the key properties of 4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one?
4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one has a molecular weight of 319.36 g/mol, XLogP of 1.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(methoxymethoxy)ethoxy]phenyl]methyl]-3-prop-2-ynyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 87392814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).