2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C22H20FNO2 — CID 70499286

IUPAC2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc2ccccc2c(-c2ccc(F)cc2)c1C1=NC(C)(C)CO1
InChIInChI=1S/C22H20FNO2/c1-22(2)13-26-21(24-22)20-18(25-3)12-15-6-4-5-7-17(15)19(20)14-8-10-16(23)11-9-14/h4-12H,13H2,1-3H3
InChIKeyPVBQBYGISPRJRH-UHFFFAOYSA-N
MW349.41 g/mol
LogP5.21
Rot. Bonds3

About 2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 70499286) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID70499286
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc2ccccc2c(-c2ccc(F)cc2)c1C1=NC(C)(C)CO1
InChIInChI=1S/C22H20FNO2/c1-22(2)13-26-21(24-22)20-18(25-3)12-15-6-4-5-7-17(15)19(20)14-8-10-16(23)11-9-14/h4-12H,13H2,1-3H3
InChIKeyPVBQBYGISPRJRH-UHFFFAOYSA-N
XLogP5.21
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 70499286) is 2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is COc1cc2ccccc2c(-c2ccc(F)cc2)c1C1=NC(C)(C)CO1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is PVBQBYGISPRJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c1-22(2)13-26-21(24-22)20-18(25-3)12-15-6-4-5-7-17(15)19(20)14-8-10-16(23)11-9-14/h4-12H,13H2,1-3H3.
What are the key properties of 2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 349.41 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 70499286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).