5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid

C16H17NO4 — CID 136968291

About 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid

5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 136968291) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
• PubChem CID: 136968291
• Molecular Formula: C16H17NO4
• Molecular Weight: 287.31 g/mol
• Exact Mass: 287.12
• IUPAC Name: 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
• SMILES: Cc1c(O)c(-c2cc(C(=O)O)no2)c(C)c2c1CCCC2
• InChI: InChI=1S/C16H17NO4/c1-8-10-5-3-4-6-11(10)9(2)15(18)14(8)13-7-12(16(19)20)17-21-13/h7,18H,3-6H2,1-2H3,(H,19,20)
• InChIKey: JBMMUMDFOZRPLK-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.31
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?

The IUPAC name of 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid (CID 136968291) is 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid is Cc1c(O)c(-c2cc(C(=O)O)no2)c(C)c2c1CCCC2.

What is the InChIKey of 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?

The InChIKey is JBMMUMDFOZRPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-8-10-5-3-4-6-11(10)9(2)15(18)14(8)13-7-12(16(19)20)17-21-13/h7,18H,3-6H2,1-2H3,(H,19,20).

What are the key properties of 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?

5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 136968291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).