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

C23H23NO3 — CID 15708384

IUPAC2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(-c2c(C3=NC(C)(C)CO3)ccc3ccccc23)cc1OC
InChIInChI=1S/C23H23NO3/c1-23(2)14-27-22(24-23)18-11-9-15-7-5-6-8-17(15)21(18)16-10-12-19(25-3)20(13-16)26-4/h5-13H,14H2,1-4H3
InChIKeyDXFYUTREKQDVTJ-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.08
Rot. Bonds4

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

2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 15708384) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID15708384
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(-c2c(C3=NC(C)(C)CO3)ccc3ccccc23)cc1OC
InChIInChI=1S/C23H23NO3/c1-23(2)14-27-22(24-23)18-11-9-15-7-5-6-8-17(15)21(18)16-10-12-19(25-3)20(13-16)26-4/h5-13H,14H2,1-4H3
InChIKeyDXFYUTREKQDVTJ-UHFFFAOYSA-N
XLogP5.08
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 15708384) is 2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is COc1ccc(-c2c(C3=NC(C)(C)CO3)ccc3ccccc23)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is DXFYUTREKQDVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-23(2)14-27-22(24-23)18-11-9-15-7-5-6-8-17(15)21(18)16-10-12-19(25-3)20(13-16)26-4/h5-13H,14H2,1-4H3.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 361.44 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 15708384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).