2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole

C20H19N3O — CID 56682911

IUPAC2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCC(C)c1nccn1Cc1coc(-c2cccc3ccccc23)n1
InChIInChI=1S/C20H19N3O/c1-14(2)19-21-10-11-23(19)12-16-13-24-20(22-16)18-9-5-7-15-6-3-4-8-17(15)18/h3-11,13-14H,12H2,1-2H3
InChIKeyIEZGBECFPDNBRK-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.86
Rot. Bonds4

About 2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole

2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56682911) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56682911
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCC(C)c1nccn1Cc1coc(-c2cccc3ccccc23)n1
InChIInChI=1S/C20H19N3O/c1-14(2)19-21-10-11-23(19)12-16-13-24-20(22-16)18-9-5-7-15-6-3-4-8-17(15)18/h3-11,13-14H,12H2,1-2H3
InChIKeyIEZGBECFPDNBRK-UHFFFAOYSA-N
XLogP4.86
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole (CID 56682911) is 2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole is CC(C)c1nccn1Cc1coc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is IEZGBECFPDNBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14(2)19-21-10-11-23(19)12-16-13-24-20(22-16)18-9-5-7-15-6-3-4-8-17(15)18/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 317.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56682911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).