2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole

C16H13NO2 — CID 520919

IUPAC2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole
SMILESCOc1cccc(-c2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H13NO2/c1-18-14-9-5-8-13(10-14)16-17-11-15(19-16)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyNWCFKCRZJQLJDJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP4.02
Rot. Bonds3

About 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole

2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole (PubChem CID 520919) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole
PubChem CID520919
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole
SMILESCOc1cccc(-c2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H13NO2/c1-18-14-9-5-8-13(10-14)16-17-11-15(19-16)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyNWCFKCRZJQLJDJ-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 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole (CID 520919) is 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole is COc1cccc(-c2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole?
The InChIKey is NWCFKCRZJQLJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-18-14-9-5-8-13(10-14)16-17-11-15(19-16)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole?
2-(3-methoxyphenyl)-5-phenyl-1,3-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 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 520919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).