3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one

C15H22N2O3 — CID 134018873

IUPAC3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCCN(C)CCN2CCOC2=O)cc1
InChIInChI=1S/C15H22N2O3/c1-13-3-5-14(6-4-13)19-11-9-16(2)7-8-17-10-12-20-15(17)18/h3-6H,7-12H2,1-2H3
InChIKeyVVTGWVBEEWNUMA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.76
Rot. Bonds7

About 3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 134018873) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID134018873
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCCN(C)CCN2CCOC2=O)cc1
InChIInChI=1S/C15H22N2O3/c1-13-3-5-14(6-4-13)19-11-9-16(2)7-8-17-10-12-20-15(17)18/h3-6H,7-12H2,1-2H3
InChIKeyVVTGWVBEEWNUMA-UHFFFAOYSA-N
XLogP1.76
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one (CID 134018873) is 3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one is Cc1ccc(OCCN(C)CCN2CCOC2=O)cc1.
What is the InChIKey of 3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is VVTGWVBEEWNUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-13-3-5-14(6-4-13)19-11-9-16(2)7-8-17-10-12-20-15(17)18/h3-6H,7-12H2,1-2H3.
What are the key properties of 3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134018873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).