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

C22H21NO — CID 90967142

IUPAC5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCc2ccccc2)NOC1Cc1ccc2ccccc2c1
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/h1-10,12,14,16,22-23H,11,13,15H2
InChIKeyHDEUPOVQXPZMHB-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.80
Rot. Bonds5

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

5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 90967142) 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)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
PubChem CID90967142
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCc2ccccc2)NOC1Cc1ccc2ccccc2c1
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/h1-10,12,14,16,22-23H,11,13,15H2
InChIKeyHDEUPOVQXPZMHB-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

Analyze 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-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-(Naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881548
1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine
CID 57236429
(1S)-1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine
CID 10689969
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
5-(Naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91207516
3-(4-Chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole
CID 91565352
5-Benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole
CID 91604655
5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine
CID 139889984
N-(1-anthracen-9-ylethoxy)-3-formylcyclohexa-1,3-dien-1-amine oxide
CID 163538470
3-Amino-1,2,5,6-tetrahydrochrysen-1-ol
CID 174294829
1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine
CID 101004926

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (CID 90967142) is 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is C1=C(CCc2ccccc2)NOC1Cc1ccc2ccccc2c1.
What is the InChIKey of 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is HDEUPOVQXPZMHB-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/h1-10,12,14,16,22-23H,11,13,15H2.
What are the key properties of 5-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
5-(naphthalen-2-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-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90967142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).