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

C14H13NO4 — CID 136963383

IUPAC5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c(O)ccc3c2CCCC3)on1
InChIInChI=1S/C14H13NO4/c16-11-6-5-8-3-1-2-4-9(8)13(11)12-7-10(14(17)18)15-19-12/h5-7,16H,1-4H2,(H,17,18)
InChIKeyUGMDLCBCXARHQH-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.62
Rot. Bonds2

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

5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 136963383) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID136963383
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c(O)ccc3c2CCCC3)on1
InChIInChI=1S/C14H13NO4/c16-11-6-5-8-3-1-2-4-9(8)13(11)12-7-10(14(17)18)15-19-12/h5-7,16H,1-4H2,(H,17,18)
InChIKeyUGMDLCBCXARHQH-UHFFFAOYSA-N
XLogP2.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 136932474
5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 117435468
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-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 136963380
5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 136968291
4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 142874323
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;sulfane
CID 134611635
5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991116
5-(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117406628
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117418286
3-hydroxy-4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 89381812

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid (CID 136963383) is 5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2c(O)ccc3c2CCCC3)on1.
What is the InChIKey of 5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UGMDLCBCXARHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-11-6-5-8-3-1-2-4-9(8)13(11)12-7-10(14(17)18)15-19-12/h5-7,16H,1-4H2,(H,17,18).
What are the key properties of 5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid?
5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 136963383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).