2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole

C22H17NO2 — CID 71353602

IUPAC2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C22H17NO2/c1-24-20-13-11-19(12-14-20)22-23-15-21(25-22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3
InChIKeyIKKQTHJCRRDKHZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.68
Rot. Bonds4

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

2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole (PubChem CID 71353602) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole
PubChem CID71353602
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C22H17NO2/c1-24-20-13-11-19(12-14-20)22-23-15-21(25-22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3
InChIKeyIKKQTHJCRRDKHZ-UHFFFAOYSA-N
XLogP5.68
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole (CID 71353602) is 2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole is COc1ccc(-c2ncc(-c3ccc(-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole?
The InChIKey is IKKQTHJCRRDKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-24-20-13-11-19(12-14-20)22-23-15-21(25-22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole?
2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole has a molecular weight of 327.38 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-oxazole is sourced from PubChem (CID 71353602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).