4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole

C15H15NO — CID 135045577

IUPAC4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C1=CCCc2ccccc21
InChIInChI=1S/C15H15NO/c1-10-15(11(2)17-16-10)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyZUDMEOYFMYJXEK-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.67
Rot. Bonds1

About 4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole

4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 135045577) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID135045577
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C1=CCCc2ccccc21
InChIInChI=1S/C15H15NO/c1-10-15(11(2)17-16-10)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyZUDMEOYFMYJXEK-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole (CID 135045577) is 4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1C1=CCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZUDMEOYFMYJXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-15(11(2)17-16-10)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole?
4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 225.29 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 135045577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).