3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one

C17H21NO2 — CID 123826253

IUPAC3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(=O)o[nH]3)ccc21
InChIInChI=1S/C17H21NO2/c1-16(2)7-8-17(3,4)13-9-11(5-6-12(13)16)14-10-15(19)20-18-14/h5-6,9-10,18H,7-8H2,1-4H3
InChIKeyXFIWLYWDBBQVEU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.98
Rot. Bonds1

About 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one

3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one (PubChem CID 123826253) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one
PubChem CID123826253
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(=O)o[nH]3)ccc21
InChIInChI=1S/C17H21NO2/c1-16(2)7-8-17(3,4)13-9-11(5-6-12(13)16)14-10-15(19)20-18-14/h5-6,9-10,18H,7-8H2,1-4H3
InChIKeyXFIWLYWDBBQVEU-UHFFFAOYSA-N
XLogP3.98
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one (CID 123826253) is 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one is CC1(C)CCC(C)(C)c2cc(-c3cc(=O)o[nH]3)ccc21.
What is the InChIKey of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one?
The InChIKey is XFIWLYWDBBQVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-16(2)7-8-17(3,4)13-9-11(5-6-12(13)16)14-10-15(19)20-18-14/h5-6,9-10,18H,7-8H2,1-4H3.
What are the key properties of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one?
3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one has a molecular weight of 271.36 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 123826253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).