8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid

C13H8N2O3 — CID 114998331

IUPAC8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(-c3ncno3)c12
InChIInChI=1S/C13H8N2O3/c16-13(17)10-6-2-4-8-3-1-5-9(11(8)10)12-14-7-15-18-12/h1-7H,(H,16,17)
InChIKeyGZRWNASKJNMLPV-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.59
Rot. Bonds2

About 8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid

8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid (PubChem CID 114998331) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid
PubChem CID114998331
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(-c3ncno3)c12
InChIInChI=1S/C13H8N2O3/c16-13(17)10-6-2-4-8-3-1-5-9(11(8)10)12-14-7-15-18-12/h1-7H,(H,16,17)
InChIKeyGZRWNASKJNMLPV-UHFFFAOYSA-N
XLogP2.59
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174823001
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8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid
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8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid
CID 175733393
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CID 102060939
2-hydroxynaphthalene-1,8-dicarboxylic acid
CID 19938987
coronene;phthalic acid
CID 174757958
naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160598160
2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one
CID 10755808
10-(10-carboxy-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid;perylene
CID 87318965
8-acetamidonaphthalene-1-carboxylic acid
CID 163232881

Frequently Asked Questions

What is the IUPAC name of 8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid?
The IUPAC name of 8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid (CID 114998331) is 8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid?
The canonical SMILES for 8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid is O=C(O)c1cccc2cccc(-c3ncno3)c12.
What is the InChIKey of 8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid?
The InChIKey is GZRWNASKJNMLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-13(17)10-6-2-4-8-3-1-5-9(11(8)10)12-14-7-15-18-12/h1-7H,(H,16,17).
What are the key properties of 8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid?
8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 114998331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).