2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole

C19H19NO5 — CID 164610850

IUPAC2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2cnc(-c3cccc(OC)c3OC)o2)c1OC
InChIInChI=1S/C19H19NO5/c1-21-14-9-5-7-12(17(14)23-3)16-11-20-19(25-16)13-8-6-10-15(22-2)18(13)24-4/h5-11H,1-4H3
InChIKeyDHPYYEQJGQVLLU-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.04
Rot. Bonds6

About 2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole

2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole (PubChem CID 164610850) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole
PubChem CID164610850
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2cnc(-c3cccc(OC)c3OC)o2)c1OC
InChIInChI=1S/C19H19NO5/c1-21-14-9-5-7-12(17(14)23-3)16-11-20-19(25-16)13-8-6-10-15(22-2)18(13)24-4/h5-11H,1-4H3
InChIKeyDHPYYEQJGQVLLU-UHFFFAOYSA-N
XLogP4.04
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole (CID 164610850) is 2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole is COc1cccc(-c2cnc(-c3cccc(OC)c3OC)o2)c1OC.
What is the InChIKey of 2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole?
The InChIKey is DHPYYEQJGQVLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-21-14-9-5-7-12(17(14)23-3)16-11-20-19(25-16)13-8-6-10-15(22-2)18(13)24-4/h5-11H,1-4H3.
What are the key properties of 2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole?
2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole has a molecular weight of 341.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,3-dimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 164610850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).