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

C24H25NO2 — CID 21275656

IUPAC2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc2ccccc2c(-c2cc(C)cc(C)c2)c1C1=NC(C)(C)CO1
InChIInChI=1S/C24H25NO2/c1-15-10-16(2)12-18(11-15)21-19-9-7-6-8-17(19)13-20(26-5)22(21)23-25-24(3,4)14-27-23/h6-13H,14H2,1-5H3
InChIKeyALGDXSRNEYLZGR-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.69
Rot. Bonds3

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

2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 21275656) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID21275656
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc2ccccc2c(-c2cc(C)cc(C)c2)c1C1=NC(C)(C)CO1
InChIInChI=1S/C24H25NO2/c1-15-10-16(2)12-18(11-15)21-19-9-7-6-8-17(19)13-20(26-5)22(21)23-25-24(3,4)14-27-23/h6-13H,14H2,1-5H3
InChIKeyALGDXSRNEYLZGR-UHFFFAOYSA-N
XLogP5.69
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 21275656) is 2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is COc1cc2ccccc2c(-c2cc(C)cc(C)c2)c1C1=NC(C)(C)CO1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is ALGDXSRNEYLZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-15-10-16(2)12-18(11-15)21-19-9-7-6-8-17(19)13-20(26-5)22(21)23-25-24(3,4)14-27-23/h6-13H,14H2,1-5H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 359.47 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)-3-methoxynaphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 21275656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).