5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole

C22H21NO — CID 91207516

IUPAC5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCc2ccccc2)NOC1Cc1cccc2ccccc12
InChIInChI=1S/C22H21NO/c1-2-7-17(8-3-1)13-14-20-16-21(24-23-20)15-19-11-6-10-18-9-4-5-12-22(18)19/h1-12,16,21,23H,13-15H2
InChIKeyGSKMIFFQCXUKKK-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.80
Rot. Bonds5

About 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole

5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91207516) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
PubChem CID91207516
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCc2ccccc2)NOC1Cc1cccc2ccccc12
InChIInChI=1S/C22H21NO/c1-2-7-17(8-3-1)13-14-20-16-21(24-23-20)15-19-11-6-10-18-9-4-5-12-22(18)19/h1-12,16,21,23H,13-15H2
InChIKeyGSKMIFFQCXUKKK-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881682
1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine
CID 57236429
N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine
CID 10830497
N-(naphthalen-1-ylmethoxy)aniline
CID 19047704
5-Benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole
CID 90841663
5-(Naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90967142
5-Benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole
CID 90970559
5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole
CID 91068799
3-(4-Chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole
CID 91565352
5-Benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91569054
5-Benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole
CID 91604655
5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine
CID 139889984

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (CID 91207516) is 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is C1=C(CCc2ccccc2)NOC1Cc1cccc2ccccc12.
What is the InChIKey of 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is GSKMIFFQCXUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-2-7-17(8-3-1)13-14-20-16-21(24-23-20)15-19-11-6-10-18-9-4-5-12-22(18)19/h1-12,16,21,23H,13-15H2.
What are the key properties of 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 315.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91207516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).