4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole

C17H15NO3 — CID 91048889

IUPAC4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2nocc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C17H15NO3/c1-19-14-8-6-12(7-9-14)17-16(11-21-18-17)13-4-3-5-15(10-13)20-2/h3-11H,1-2H3
InChIKeyFQHUHJSBBHMRCS-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.03
Rot. Bonds4

About 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole

4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 91048889) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole
PubChem CID91048889
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2nocc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C17H15NO3/c1-19-14-8-6-12(7-9-14)17-16(11-21-18-17)13-4-3-5-15(10-13)20-2/h3-11H,1-2H3
InChIKeyFQHUHJSBBHMRCS-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 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole (CID 91048889) is 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2nocc2-c2cccc(OC)c2)cc1.
What is the InChIKey of 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is FQHUHJSBBHMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-19-14-8-6-12(7-9-14)17-16(11-21-18-17)13-4-3-5-15(10-13)20-2/h3-11H,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole?
4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-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 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 91048889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).