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

C15H15NO4 — CID 117435468

IUPAC5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc2c(c1-c1cc(C(=O)O)no1)CCCC2
InChIInChI=1S/C15H15NO4/c1-19-12-7-6-9-4-2-3-5-10(9)14(12)13-8-11(15(17)18)16-20-13/h6-8H,2-5H2,1H3,(H,17,18)
InChIKeyOUKHBMOUXYOCLK-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.93
Rot. Bonds3

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

5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117435468) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117435468
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc2c(c1-c1cc(C(=O)O)no1)CCCC2
InChIInChI=1S/C15H15NO4/c1-19-12-7-6-9-4-2-3-5-10(9)14(12)13-8-11(15(17)18)16-20-13/h6-8H,2-5H2,1H3,(H,17,18)
InChIKeyOUKHBMOUXYOCLK-UHFFFAOYSA-N
XLogP2.93
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117406628
5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 136963383
5-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 136932474
5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985
5-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 117488319
5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117380434
5-(5-methoxy-1,3-benzodioxol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117411816
5-(2-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 136998296
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117455882
5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117398764
5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 136968291

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid (CID 117435468) is 5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid is COc1ccc2c(c1-c1cc(C(=O)O)no1)CCCC2.
What is the InChIKey of 5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is OUKHBMOUXYOCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-12-7-6-9-4-2-3-5-10(9)14(12)13-8-11(15(17)18)16-20-13/h6-8H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid?
5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117435468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).