5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole

C20H21NO — CID 122207953

IUPAC5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole
SMILESCC(C)(C)C1=NCC(=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H21NO/c1-20(2,3)19-21-14-17(22-19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyXVXHTULITLMULQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.92
Rot. Bonds2

About 5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole

5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole (PubChem CID 122207953) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole.

Molecular Properties

Compound Name5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole
PubChem CID122207953
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole
SMILESCC(C)(C)C1=NCC(=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H21NO/c1-20(2,3)19-21-14-17(22-19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyXVXHTULITLMULQ-UHFFFAOYSA-N
XLogP4.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-benzhydrylidene-2-tert-butyl-4H-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 5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole?
The IUPAC name of 5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole (CID 122207953) is 5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole.
What is the SMILES notation for 5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole?
The canonical SMILES for 5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole is CC(C)(C)C1=NCC(=C(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole?
The InChIKey is XVXHTULITLMULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-20(2,3)19-21-14-17(22-19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3.
What are the key properties of 5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole?
5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole has a molecular weight of 291.39 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole is sourced from PubChem (CID 122207953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).