2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid

C14H11NO4 — CID 135871162

IUPAC2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(c2ccc3ccccc3c2O)O1
InChIInChI=1S/C14H11NO4/c16-12-9-4-2-1-3-8(9)5-6-10(12)13-15-7-11(19-13)14(17)18/h1-6,11,16H,7H2,(H,17,18)
InChIKeyGGSFLAGUDDRGQL-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.78
Rot. Bonds2

About 2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid

2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid (PubChem CID 135871162) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
PubChem CID135871162
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(c2ccc3ccccc3c2O)O1
InChIInChI=1S/C14H11NO4/c16-12-9-4-2-1-3-8(9)5-6-10(12)13-15-7-11(19-13)14(17)18/h1-6,11,16H,7H2,(H,17,18)
InChIKeyGGSFLAGUDDRGQL-UHFFFAOYSA-N
XLogP1.78
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid (CID 135871162) is 2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid is O=C(O)C1CN=C(c2ccc3ccccc3c2O)O1.
What is the InChIKey of 2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The InChIKey is GGSFLAGUDDRGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-12-9-4-2-1-3-8(9)5-6-10(12)13-15-7-11(19-13)14(17)18/h1-6,11,16H,7H2,(H,17,18).
What are the key properties of 2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 135871162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).