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

C22H21NO — CID 24881548

IUPAC5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2=NOC(Cc3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C22H21NO/c1-2-6-17(7-3-1)11-13-21-16-22(24-23-21)15-18-10-12-19-8-4-5-9-20(19)14-18/h1-10,12,14,22H,11,13,15-16H2
InChIKeyMGQWOQQWBFWUAL-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.16
Rot. Bonds5

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

5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 24881548) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
PubChem CID24881548
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2=NOC(Cc3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C22H21NO/c1-2-6-17(7-3-1)11-13-21-16-22(24-23-21)15-18-10-12-19-8-4-5-9-20(19)14-18/h1-10,12,14,22H,11,13,15-16H2
InChIKeyMGQWOQQWBFWUAL-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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Related Compounds

(5R)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561576
(5R)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561574
(5S)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561575
(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561705
(5R)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole
CID 71562330
(5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole
CID 71562432
3,5-Dibenzyl-4,5-dihydro-1,2-oxazole
CID 15270458
5-(Naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881682
3-Naphthalen-1-yl-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71451463
3,5-Dibenzyl-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585583
5-(Naphthalen-1-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585993
5-(Naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585994

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (CID 24881548) is 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is c1ccc(CCC2=NOC(Cc3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is MGQWOQQWBFWUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-2-6-17(7-3-1)11-13-21-16-22(24-23-21)15-18-10-12-19-8-4-5-9-20(19)14-18/h1-10,12,14,22H,11,13,15-16H2.
What are the key properties of 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
5-(naphthalen-2-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-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 24881548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).