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

C18H17NO3 — CID 3954928

IUPAC3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole
SMILESCOc1ccc(-c2noc(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO3/c1-12-17(13-4-8-15(20-2)9-5-13)18(19-22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3
InChIKeyCKKXCPZQKHHECC-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.33
Rot. Bonds4

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

3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole (PubChem CID 3954928) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole
PubChem CID3954928
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole
SMILESCOc1ccc(-c2noc(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO3/c1-12-17(13-4-8-15(20-2)9-5-13)18(19-22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3
InChIKeyCKKXCPZQKHHECC-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 3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole (CID 3954928) is 3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole is COc1ccc(-c2noc(C)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole?
The InChIKey is CKKXCPZQKHHECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-17(13-4-8-15(20-2)9-5-13)18(19-22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole?
3,4-bis(4-methoxyphenyl)-5-methyl-1,2-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 3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 3954928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).