5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole

C22H21NO — CID 24881682

IUPAC5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2=NOC(Cc3cccc4ccccc34)C2)cc1
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/h1-12,21H,13-16H2
InChIKeySVYYHEIHCZJHOG-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.16
Rot. Bonds5

About 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole

5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 24881682) 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)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
PubChem CID24881682
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2=NOC(Cc3cccc4ccccc34)C2)cc1
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/h1-12,21H,13-16H2
InChIKeySVYYHEIHCZJHOG-UHFFFAOYSA-N
XLogP5.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (CID 24881682) is 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is c1ccc(CCC2=NOC(Cc3cccc4ccccc34)C2)cc1.
What is the InChIKey of 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is SVYYHEIHCZJHOG-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/h1-12,21H,13-16H2.
What are the key properties of 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 315.42 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 24881682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).