5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid

C18H21NO3 — CID 10709275

IUPAC5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C18H21NO3/c1-17(2)7-8-18(3,4)13-9-11(5-6-12(13)17)15-10-14(16(20)21)19-22-15/h5-6,9-10H,7-8H2,1-4H3,(H,20,21)
InChIKeyNHCDZDYMLCAHIV-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.39
Rot. Bonds2

About 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid

5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 10709275) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID10709275
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C18H21NO3/c1-17(2)7-8-18(3,4)13-9-11(5-6-12(13)17)15-10-14(16(20)21)19-22-15/h5-6,9-10H,7-8H2,1-4H3,(H,20,21)
InChIKeyNHCDZDYMLCAHIV-UHFFFAOYSA-N
XLogP4.39
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid (CID 10709275) is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid is CC1(C)CCC(C)(C)c2cc(-c3cc(C(=O)O)no3)ccc21.
What is the InChIKey of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NHCDZDYMLCAHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-17(2)7-8-18(3,4)13-9-11(5-6-12(13)17)15-10-14(16(20)21)19-22-15/h5-6,9-10H,7-8H2,1-4H3,(H,20,21).
What are the key properties of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 10709275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).