2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole

C20H15NO2 — CID 86184382

IUPAC2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole
SMILESCOc1ccc(-c2ncc(-c3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C20H15NO2/c1-22-18-10-8-15(9-11-18)20-21-13-19(23-20)17-7-6-14-4-2-3-5-16(14)12-17/h2-13H,1H3
InChIKeyTYDQHKCXGWQERP-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.17
Rot. Bonds3

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

2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole (PubChem CID 86184382) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole
PubChem CID86184382
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole
SMILESCOc1ccc(-c2ncc(-c3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C20H15NO2/c1-22-18-10-8-15(9-11-18)20-21-13-19(23-20)17-7-6-14-4-2-3-5-16(14)12-17/h2-13H,1H3
InChIKeyTYDQHKCXGWQERP-UHFFFAOYSA-N
XLogP5.17
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 55.17
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-naphthalen-2-yl-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole (CID 86184382) is 2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole is COc1ccc(-c2ncc(-c3ccc4ccccc4c3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole?
The InChIKey is TYDQHKCXGWQERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-22-18-10-8-15(9-11-18)20-21-13-19(23-20)17-7-6-14-4-2-3-5-16(14)12-17/h2-13H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole?
2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole has a molecular weight of 301.35 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole is sourced from PubChem (CID 86184382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).