5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole

C21H19NO — CID 91068799

IUPAC5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole
SMILESCC1(Cc2ccccc2)C=C(c2ccc3ccccc3c2)NO1
InChIInChI=1S/C21H19NO/c1-21(14-16-7-3-2-4-8-16)15-20(22-23-21)19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15,22H,14H2,1H3
InChIKeyMCMGMKDUEKZETN-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.72
Rot. Bonds3

About 5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole

5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole (PubChem CID 91068799) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole
PubChem CID91068799
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole
SMILESCC1(Cc2ccccc2)C=C(c2ccc3ccccc3c2)NO1
InChIInChI=1S/C21H19NO/c1-21(14-16-7-3-2-4-8-16)15-20(22-23-21)19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15,22H,14H2,1H3
InChIKeyMCMGMKDUEKZETN-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzoxy-2-naphthalenemethanamine
CID 53308533
1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine
CID 57236429
5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole
CID 91027449
5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 91417160
5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 91600701
(1S)-1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine
CID 10689969
N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine
CID 10830497
1-cyclopropylidene-1-(4-ethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 53692859
1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-(4-propan-2-ylphenyl)methanamine
CID 54042432
1-cyclopropylidene-1-(2,4-dimethylphenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 54144881
1-(4-tert-butylphenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 54287842
1-(2,5-dimethylphenyl)-N-phenylmethoxyethenamine
CID 57279981

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole?
The IUPAC name of 5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole (CID 91068799) is 5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole.
What is the SMILES notation for 5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole?
The canonical SMILES for 5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole is CC1(Cc2ccccc2)C=C(c2ccc3ccccc3c2)NO1.
What is the InChIKey of 5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole?
The InChIKey is MCMGMKDUEKZETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-21(14-16-7-3-2-4-8-16)15-20(22-23-21)19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15,22H,14H2,1H3.
What are the key properties of 5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole?
5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole has a molecular weight of 301.39 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole is sourced from PubChem (CID 91068799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).