2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C22H21NO2 — CID 101241587

IUPAC2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(C2=NC(C)(C)CO2)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C22H21NO2/c1-22(2)14-25-21(23-22)19-12-11-16(24-3)13-20(19)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,14H2,1-3H3
InChIKeySCKGJXUKMPTONP-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.07
Rot. Bonds3

About 2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 101241587) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID101241587
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(C2=NC(C)(C)CO2)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C22H21NO2/c1-22(2)14-25-21(23-22)19-12-11-16(24-3)13-20(19)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,14H2,1-3H3
InChIKeySCKGJXUKMPTONP-UHFFFAOYSA-N
XLogP5.07
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 101241587) is 2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole is COc1ccc(C2=NC(C)(C)CO2)c(-c2cccc3ccccc23)c1.
What is the InChIKey of 2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is SCKGJXUKMPTONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-22(2)14-25-21(23-22)19-12-11-16(24-3)13-20(19)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,14H2,1-3H3.
What are the key properties of 2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 331.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 101241587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).