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

C20H17NO — CID 90970559

IUPAC5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccc3ccccc3c2)NOC1Cc1ccccc1
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/h1-11,13-14,19,21H,12H2
InChIKeyJJAHCLCTMXUCBS-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.33
Rot. Bonds3

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

5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole (PubChem CID 90970559) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole
PubChem CID90970559
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccc3ccccc3c2)NOC1Cc1ccccc1
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/h1-11,13-14,19,21H,12H2
InChIKeyJJAHCLCTMXUCBS-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

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Related Compounds

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CID 53308533
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(Z)-1,2-diphenyl-N-(1-phenylbutoxy)ethenamine
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(1S)-1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine
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CID 53692859
1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine
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1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-phenylmethanamine
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CID 54287842

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole (CID 90970559) is 5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole is C1=C(c2ccc3ccccc3c2)NOC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole?
The InChIKey is JJAHCLCTMXUCBS-UHFFFAOYSA-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/h1-11,13-14,19,21H,12H2.
What are the key properties of 5-benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole?
5-benzyl-3-naphthalen-2-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-2-yl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90970559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).