5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole

C21H25NO5 — CID 141186815

IUPAC5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(C(C)c3ccc(OC)c(OC)c3)=NO2)cc1OC
InChIInChI=1S/C21H25NO5/c1-13(14-6-8-17(23-2)20(10-14)25-4)16-12-19(27-22-16)15-7-9-18(24-3)21(11-15)26-5/h6-11,13,19H,12H2,1-5H3
InChIKeyFMTHLOUUJZTDKD-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.34
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole

5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole (PubChem CID 141186815) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole
PubChem CID141186815
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(C(C)c3ccc(OC)c(OC)c3)=NO2)cc1OC
InChIInChI=1S/C21H25NO5/c1-13(14-6-8-17(23-2)20(10-14)25-4)16-12-19(27-22-16)15-7-9-18(24-3)21(11-15)26-5/h6-11,13,19H,12H2,1-5H3
InChIKeyFMTHLOUUJZTDKD-UHFFFAOYSA-N
XLogP4.34
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole (CID 141186815) is 5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole is COc1ccc(C2CC(C(C)c3ccc(OC)c(OC)c3)=NO2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is FMTHLOUUJZTDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-13(14-6-8-17(23-2)20(10-14)25-4)16-12-19(27-22-16)15-7-9-18(24-3)21(11-15)26-5/h6-11,13,19H,12H2,1-5H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole?
5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 371.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 141186815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).