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

C23H23NO — CID 3718820

IUPAC2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(C)cc(-c2c(C3=NC(C)(C)CO3)ccc3ccccc23)c1
InChIInChI=1S/C23H23NO/c1-15-11-16(2)13-18(12-15)21-19-8-6-5-7-17(19)9-10-20(21)22-24-23(3,4)14-25-22/h5-13H,14H2,1-4H3
InChIKeyGCDYLOAUWQTSFQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.68
Rot. Bonds2

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

2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 3718820) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID3718820
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(C)cc(-c2c(C3=NC(C)(C)CO3)ccc3ccccc23)c1
InChIInChI=1S/C23H23NO/c1-15-11-16(2)13-18(12-15)21-19-8-6-5-7-17(19)9-10-20(21)22-24-23(3,4)14-25-22/h5-13H,14H2,1-4H3
InChIKeyGCDYLOAUWQTSFQ-UHFFFAOYSA-N
XLogP5.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 3718820) is 2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is Cc1cc(C)cc(-c2c(C3=NC(C)(C)CO3)ccc3ccccc23)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GCDYLOAUWQTSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-15-11-16(2)13-18(12-15)21-19-8-6-5-7-17(19)9-10-20(21)22-24-23(3,4)14-25-22/h5-13H,14H2,1-4H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 329.44 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 3718820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).