3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one

C20H21NO5 — CID 4920828

IUPAC3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one
SMILESCOCCn1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)oc1=O
InChIInChI=1S/C20H21NO5/c1-23-13-12-21-18(14-4-8-16(24-2)9-5-14)19(26-20(21)22)15-6-10-17(25-3)11-7-15/h4-11H,12-13H2,1-3H3
InChIKeyYIWBQKYNRJOGQY-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.44
Rot. Bonds7

About 3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one

3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one (PubChem CID 4920828) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one
PubChem CID4920828
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one
SMILESCOCCn1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)oc1=O
InChIInChI=1S/C20H21NO5/c1-23-13-12-21-18(14-4-8-16(24-2)9-5-14)19(26-20(21)22)15-6-10-17(25-3)11-7-15/h4-11H,12-13H2,1-3H3
InChIKeyYIWBQKYNRJOGQY-UHFFFAOYSA-N
XLogP3.44
TPSA62.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one?
The IUPAC name of 3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one (CID 4920828) is 3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one.
What is the SMILES notation for 3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one?
The canonical SMILES for 3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one is COCCn1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)oc1=O.
What is the InChIKey of 3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one?
The InChIKey is YIWBQKYNRJOGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-23-13-12-21-18(14-4-8-16(24-2)9-5-14)19(26-20(21)22)15-6-10-17(25-3)11-7-15/h4-11H,12-13H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one?
3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one has a molecular weight of 355.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one is sourced from PubChem (CID 4920828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).