2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C30H28N2O — CID 10646390

IUPAC2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc3cccc(-c4cccc5c4N(Cc4ccccc4)CC5)c3c2)=N1
InChIInChI=1S/C30H28N2O/c1-30(2)20-33-29(31-30)24-15-14-22-10-6-12-25(27(22)18-24)26-13-7-11-23-16-17-32(28(23)26)19-21-8-4-3-5-9-21/h3-15,18H,16-17,19-20H2,1-2H3
InChIKeyRWVVEJDKECSSGY-UHFFFAOYSA-N
MW432.57 g/mol
LogP6.62
Rot. Bonds4

About 2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 10646390) has the molecular formula C30H28N2O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID10646390
Molecular FormulaC30H28N2O
Molecular Weight432.57 g/mol
Exact Mass432.22
IUPAC Name2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc3cccc(-c4cccc5c4N(Cc4ccccc4)CC5)c3c2)=N1
InChIInChI=1S/C30H28N2O/c1-30(2)20-33-29(31-30)24-15-14-22-10-6-12-25(27(22)18-24)26-13-7-11-23-16-17-32(28(23)26)19-21-8-4-3-5-9-21/h3-15,18H,16-17,19-20H2,1-2H3
InChIKeyRWVVEJDKECSSGY-UHFFFAOYSA-N
XLogP6.62
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[8-(1-benzyl-2,3-dihydroindol-7-yl)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-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 10646390) is 2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc3cccc(-c4cccc5c4N(Cc4ccccc4)CC5)c3c2)=N1.
What is the InChIKey of 2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is RWVVEJDKECSSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O/c1-30(2)20-33-29(31-30)24-15-14-22-10-6-12-25(27(22)18-24)26-13-7-11-23-16-17-32(28(23)26)19-21-8-4-3-5-9-21/h3-15,18H,16-17,19-20H2,1-2H3.
What are the key properties of 2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 432.57 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1-benzyl-2,3-dihydroindol-7-yl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 10646390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).