5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole

C20H17NO — CID 91604655

IUPAC5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2cccc3ccccc23)NOC1Cc1ccccc1
InChIInChI=1S/C20H17NO/c1-2-7-15(8-3-1)13-17-14-20(21-22-17)19-12-6-10-16-9-4-5-11-18(16)19/h1-12,14,17,21H,13H2
InChIKeyBVHBZKXBQPCXNG-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.33
Rot. Bonds3

About 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole

5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole (PubChem CID 91604655) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole
PubChem CID91604655
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2cccc3ccccc23)NOC1Cc1ccccc1
InChIInChI=1S/C20H17NO/c1-2-7-15(8-3-1)13-17-14-20(21-22-17)19-12-6-10-16-9-4-5-11-18(16)19/h1-12,14,17,21H,13H2
InChIKeyBVHBZKXBQPCXNG-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

N-Benzoxy-2-naphthalenemethanamine
CID 53308533
N-Benzoxy-1-naphthalenemethanamine
CID 53308547
Naphthylbenzoxazine
CID 129800569
1-cyclopropylidene-1-(4-fluorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 53912762
1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine
CID 57236429
(Z)-1,2-diphenyl-N-(1-phenylbutoxy)ethenamine
CID 134883620
(1S)-1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine
CID 10689969
N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine
CID 10830497
N-(naphthalen-1-ylmethoxy)aniline
CID 19047704
1-cyclopropylidene-1-(4-ethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 53692859
1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine
CID 54042432
1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-phenylmethanamine
CID 54058027

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole (CID 91604655) is 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole is C1=C(c2cccc3ccccc23)NOC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole?
The InChIKey is BVHBZKXBQPCXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-2-7-15(8-3-1)13-17-14-20(21-22-17)19-12-6-10-16-9-4-5-11-18(16)19/h1-12,14,17,21H,13H2.
What are the key properties of 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole?
5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole has a molecular weight of 287.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91604655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).