3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole

C17H17NO — CID 164673654

IUPAC3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole
SMILESCc1noc(C)c1CCc1cccc2ccccc12
InChIInChI=1S/C17H17NO/c1-12-16(13(2)19-18-12)11-10-15-8-5-7-14-6-3-4-9-17(14)15/h3-9H,10-11H2,1-2H3
InChIKeyIAQVXKNGFHFYDJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.23
Rot. Bonds3

About 3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole

3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole (PubChem CID 164673654) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole
PubChem CID164673654
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole
SMILESCc1noc(C)c1CCc1cccc2ccccc12
InChIInChI=1S/C17H17NO/c1-12-16(13(2)19-18-12)11-10-15-8-5-7-14-6-3-4-9-17(14)15/h3-9H,10-11H2,1-2H3
InChIKeyIAQVXKNGFHFYDJ-UHFFFAOYSA-N
XLogP4.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole (CID 164673654) is 3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole is Cc1noc(C)c1CCc1cccc2ccccc12.
What is the InChIKey of 3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole?
The InChIKey is IAQVXKNGFHFYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-16(13(2)19-18-12)11-10-15-8-5-7-14-6-3-4-9-17(14)15/h3-9H,10-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole?
3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole has a molecular weight of 251.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-naphthalen-1-ylethyl)-1,2-oxazole is sourced from PubChem (CID 164673654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).