tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate

C18H19NO3 — CID 11289484

IUPACtert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)C1COC(c2cccc3ccccc23)=N1
InChIInChI=1S/C18H19NO3/c1-18(2,3)22-17(20)15-11-21-16(19-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3
InChIKeyVNGIOJOABFGZRL-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate

tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 11289484) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID11289484
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nametert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)C1COC(c2cccc3ccccc23)=N1
InChIInChI=1S/C18H19NO3/c1-18(2,3)22-17(20)15-11-21-16(19-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3
InChIKeyVNGIOJOABFGZRL-UHFFFAOYSA-N
XLogP3.33
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate 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 tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 11289484) is tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate is CC(C)(C)OC(=O)C1COC(c2cccc3ccccc23)=N1.
What is the InChIKey of tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is VNGIOJOABFGZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2,3)22-17(20)15-11-21-16(19-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3.
What are the key properties of tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate?
tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11289484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).