4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole

C18H17NO3 — CID 4610941

IUPAC4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO3/c1-12-19-17(13-4-8-15(20-2)9-5-13)18(22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3
InChIKeyWGJNQXLLYXYURA-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.33
Rot. Bonds4

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

4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole (PubChem CID 4610941) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole
PubChem CID4610941
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO3/c1-12-19-17(13-4-8-15(20-2)9-5-13)18(22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3
InChIKeyWGJNQXLLYXYURA-UHFFFAOYSA-N
XLogP4.33
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole (CID 4610941) is 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole is COc1ccc(-c2nc(C)oc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole?
The InChIKey is WGJNQXLLYXYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-19-17(13-4-8-15(20-2)9-5-13)18(22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole?
4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole has a molecular weight of 295.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 4610941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).