5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C20H21NO6 — CID 15268843

IUPAC5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2oncc2-c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H21NO6/c1-22-15-7-6-12(8-16(15)23-2)19-14(11-21-27-19)13-9-17(24-3)20(26-5)18(10-13)25-4/h6-11H,1-5H3
InChIKeyPJAMRYVDGBMNGP-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.05
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole

5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 15268843) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID15268843
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2oncc2-c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H21NO6/c1-22-15-7-6-12(8-16(15)23-2)19-14(11-21-27-19)13-9-17(24-3)20(26-5)18(10-13)25-4/h6-11H,1-5H3
InChIKeyPJAMRYVDGBMNGP-UHFFFAOYSA-N
XLogP4.05
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 15268843) is 5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1ccc(-c2oncc2-c2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is PJAMRYVDGBMNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-22-15-7-6-12(8-16(15)23-2)19-14(11-21-27-19)13-9-17(24-3)20(26-5)18(10-13)25-4/h6-11H,1-5H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 371.39 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 15268843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).