5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole

C20H17N3O3 — CID 56897341

IUPAC5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole
SMILESCOc1cccc(-c2nccn2-c2cccc(-c3cnco3)c2)c1OC
InChIInChI=1S/C20H17N3O3/c1-24-17-8-4-7-16(19(17)25-2)20-22-9-10-23(20)15-6-3-5-14(11-15)18-12-21-13-26-18/h3-13H,1-2H3
InChIKeyYZRJNTHPQWOJEP-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.21
Rot. Bonds5

About 5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole

5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole (PubChem CID 56897341) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole
PubChem CID56897341
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole
SMILESCOc1cccc(-c2nccn2-c2cccc(-c3cnco3)c2)c1OC
InChIInChI=1S/C20H17N3O3/c1-24-17-8-4-7-16(19(17)25-2)20-22-9-10-23(20)15-6-3-5-14(11-15)18-12-21-13-26-18/h3-13H,1-2H3
InChIKeyYZRJNTHPQWOJEP-UHFFFAOYSA-N
XLogP4.21
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole?
The IUPAC name of 5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole (CID 56897341) is 5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole is COc1cccc(-c2nccn2-c2cccc(-c3cnco3)c2)c1OC.
What is the InChIKey of 5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole?
The InChIKey is YZRJNTHPQWOJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-24-17-8-4-7-16(19(17)25-2)20-22-9-10-23(20)15-6-3-5-14(11-15)18-12-21-13-26-18/h3-13H,1-2H3.
What are the key properties of 5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole?
5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole has a molecular weight of 347.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 56897341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).