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

C13H11NO — CID 119083765

IUPAC5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole
SMILESC1=C(c2cnco2)CCc2ccccc21
InChIInChI=1S/C13H11NO/c1-2-4-11-7-12(6-5-10(11)3-1)13-8-14-9-15-13/h1-4,7-9H,5-6H2
InChIKeyDYJVOAVHNKTURB-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.16
Rot. Bonds1

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

5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole (PubChem CID 119083765) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole
PubChem CID119083765
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole
SMILESC1=C(c2cnco2)CCc2ccccc21
InChIInChI=1S/C13H11NO/c1-2-4-11-7-12(6-5-10(11)3-1)13-8-14-9-15-13/h1-4,7-9H,5-6H2
InChIKeyDYJVOAVHNKTURB-UHFFFAOYSA-N
XLogP3.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole?
The IUPAC name of 5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole (CID 119083765) is 5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole.
What is the SMILES notation for 5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole?
The canonical SMILES for 5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole is C1=C(c2cnco2)CCc2ccccc21.
What is the InChIKey of 5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole?
The InChIKey is DYJVOAVHNKTURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-2-4-11-7-12(6-5-10(11)3-1)13-8-14-9-15-13/h1-4,7-9H,5-6H2.
What are the key properties of 5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole?
5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole has a molecular weight of 197.24 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole is sourced from PubChem (CID 119083765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).