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

C17H15NO3 — CID 163605086

IUPAC2,5-bis(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2cnc(-c3cccc(OC)c3)o2)c1
InChIInChI=1S/C17H15NO3/c1-19-14-7-3-5-12(9-14)16-11-18-17(21-16)13-6-4-8-15(10-13)20-2/h3-11H,1-2H3
InChIKeyHBBBWUIMPDZMCL-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.03
Rot. Bonds4

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

2,5-bis(3-methoxyphenyl)-1,3-oxazole (PubChem CID 163605086) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2,5-bis(3-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2,5-bis(3-methoxyphenyl)-1,3-oxazole
PubChem CID163605086
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2,5-bis(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2cnc(-c3cccc(OC)c3)o2)c1
InChIInChI=1S/C17H15NO3/c1-19-14-7-3-5-12(9-14)16-11-18-17(21-16)13-6-4-8-15(10-13)20-2/h3-11H,1-2H3
InChIKeyHBBBWUIMPDZMCL-UHFFFAOYSA-N
XLogP4.03
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2,5-bis(3-methoxyphenyl)-1,3-oxazole (CID 163605086) is 2,5-bis(3-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2,5-bis(3-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2,5-bis(3-methoxyphenyl)-1,3-oxazole is COc1cccc(-c2cnc(-c3cccc(OC)c3)o2)c1.
What is the InChIKey of 2,5-bis(3-methoxyphenyl)-1,3-oxazole?
The InChIKey is HBBBWUIMPDZMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-19-14-7-3-5-12(9-14)16-11-18-17(21-16)13-6-4-8-15(10-13)20-2/h3-11H,1-2H3.
What are the key properties of 2,5-bis(3-methoxyphenyl)-1,3-oxazole?
2,5-bis(3-methoxyphenyl)-1,3-oxazole has a molecular weight of 281.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 163605086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).