3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one

C15H19NO5 — CID 72935827

IUPAC3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one
SMILESCOc1cccc(OC)c1OCCn1c(C)c(C)oc1=O
InChIInChI=1S/C15H19NO5/c1-10-11(2)21-15(17)16(10)8-9-20-14-12(18-3)6-5-7-13(14)19-4/h5-7H,8-9H2,1-4H3
InChIKeyWNGRIQIRUXDDOY-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.15
Rot. Bonds6

About 3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one

3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one (PubChem CID 72935827) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one
PubChem CID72935827
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one
SMILESCOc1cccc(OC)c1OCCn1c(C)c(C)oc1=O
InChIInChI=1S/C15H19NO5/c1-10-11(2)21-15(17)16(10)8-9-20-14-12(18-3)6-5-7-13(14)19-4/h5-7H,8-9H2,1-4H3
InChIKeyWNGRIQIRUXDDOY-UHFFFAOYSA-N
XLogP2.15
TPSA62.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one?
The IUPAC name of 3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one (CID 72935827) is 3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one?
The canonical SMILES for 3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one is COc1cccc(OC)c1OCCn1c(C)c(C)oc1=O.
What is the InChIKey of 3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one?
The InChIKey is WNGRIQIRUXDDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10-11(2)21-15(17)16(10)8-9-20-14-12(18-3)6-5-7-13(14)19-4/h5-7H,8-9H2,1-4H3.
What are the key properties of 3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one?
3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one has a molecular weight of 293.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethoxyphenoxy)ethyl]-4,5-dimethyl-1,3-oxazol-2-one is sourced from PubChem (CID 72935827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).