4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole

C16H13NO2 — CID 11311281

IUPAC4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccccc2)cc1
InChIInChI=1S/C16H13NO2/c1-18-14-9-7-12(8-10-14)15-11-17-19-16(15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyPRTMKQUBPHTFFL-UHFFFAOYSA-N
MW251.29 g/mol
LogP4.02
Rot. Bonds3

About 4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole

4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole (PubChem CID 11311281) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole
PubChem CID11311281
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccccc2)cc1
InChIInChI=1S/C16H13NO2/c1-18-14-9-7-12(8-10-14)15-11-17-19-16(15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyPRTMKQUBPHTFFL-UHFFFAOYSA-N
XLogP4.02
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole (CID 11311281) is 4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole is COc1ccc(-c2cnoc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole?
The InChIKey is PRTMKQUBPHTFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-18-14-9-7-12(8-10-14)15-11-17-19-16(15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole?
4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole has a molecular weight of 251.29 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 11311281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).