2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole

C22H21NO2 — CID 101345161

IUPAC2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc(C2=NC(C)(C)CO2)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C22H21NO2/c1-22(2)14-25-21(23-22)18-13-19(24-3)16-11-7-8-12-17(16)20(18)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3
InChIKeyFNIABLLVXVYETJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.07
Rot. Bonds3

About 2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 101345161) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID101345161
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc(C2=NC(C)(C)CO2)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C22H21NO2/c1-22(2)14-25-21(23-22)18-13-19(24-3)16-11-7-8-12-17(16)20(18)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3
InChIKeyFNIABLLVXVYETJ-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-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 101345161) is 2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole is COc1cc(C2=NC(C)(C)CO2)c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is FNIABLLVXVYETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-22(2)14-25-21(23-22)18-13-19(24-3)16-11-7-8-12-17(16)20(18)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3.
What are the key properties of 2-(4-methoxy-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-methoxy-1-phenylnaphthalen-2-yl)-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-1-phenylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 101345161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).