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

C19H19NO5 — CID 19585848

IUPAC3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC
InChIInChI=1S/C19H19NO5/c1-21-15-7-5-12(9-18(15)23-3)14-11-17(25-20-14)13-6-8-16(22-2)19(10-13)24-4/h5-11H,1-4H3
InChIKeyAZDOLUGQVMIGOK-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.04
Rot. Bonds6

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

3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole (PubChem CID 19585848) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
PubChem CID19585848
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC
InChIInChI=1S/C19H19NO5/c1-21-15-7-5-12(9-18(15)23-3)14-11-17(25-20-14)13-6-8-16(22-2)19(10-13)24-4/h5-11H,1-4H3
InChIKeyAZDOLUGQVMIGOK-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 3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole (CID 19585848) is 3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole is COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC.
What is the InChIKey of 3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole?
The InChIKey is AZDOLUGQVMIGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-21-15-7-5-12(9-18(15)23-3)14-11-17(25-20-14)13-6-8-16(22-2)19(10-13)24-4/h5-11H,1-4H3.
What are the key properties of 3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole?
3,5-bis(3,4-dimethoxyphenyl)-1,2-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 3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 19585848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).