(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole

C20H17NO — CID 71561705

IUPAC(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C[C@H]2CC(c3ccc4ccccc4c3)=NO2)cc1
InChIInChI=1S/C20H17NO/c1-2-6-15(7-3-1)12-19-14-20(21-22-19)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19H,12,14H2/t19-/m0/s1
InChIKeyWDGWULAODUCZPZ-IBGZPJMESA-N
MW287.36 g/mol
LogP4.58
Rot. Bonds3

About (5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole

(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 71561705) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is (5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID71561705
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C[C@H]2CC(c3ccc4ccccc4c3)=NO2)cc1
InChIInChI=1S/C20H17NO/c1-2-6-15(7-3-1)12-19-14-20(21-22-19)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19H,12,14H2/t19-/m0/s1
InChIKeyWDGWULAODUCZPZ-IBGZPJMESA-N
XLogP4.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-5-benzyl-3-naphthalen-2-yl-4,5-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

5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544914
3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol
CID 71561964
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5S)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561575
5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 23643899
5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544919
(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562323
(5R)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71562094
3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 59544906
4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole
CID 75240986
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562209

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole (CID 71561705) is (5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole is c1ccc(C[C@H]2CC(c3ccc4ccccc4c3)=NO2)cc1.
What is the InChIKey of (5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is WDGWULAODUCZPZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17NO/c1-2-6-15(7-3-1)12-19-14-20(21-22-19)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19H,12,14H2/t19-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 287.36 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71561705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).