1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1)

C10H8KN2O3 — CID 171369959

IUPAC—
SMILESO=C(O)c1nnc(Cc2ccccc2)o1.[K]
InChIInChI=1S/C10H8N2O3.K/c13-10(14)9-12-11-8(15-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,13,14);
InChIKeyXKJPSCQTFQNVRY-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.98
Rot. Bonds3

About 1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1)

1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1) (PubChem CID 171369959) has the molecular formula C10H8KN2O3 and a molecular weight of 243.28 g/mol.

Molecular Properties

Compound Name1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1)
PubChem CID171369959
Molecular FormulaC10H8KN2O3
Molecular Weight243.28 g/mol
Exact Mass243.02
IUPAC Name—
SMILESO=C(O)c1nnc(Cc2ccccc2)o1.[K]
InChIInChI=1S/C10H8N2O3.K/c13-10(14)9-12-11-8(15-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,13,14);
InChIKeyXKJPSCQTFQNVRY-UHFFFAOYSA-N
XLogP0.98
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1)?
The IUPAC name of 1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1) (CID 171369959) is not available.
What is the SMILES notation for 1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1)?
The canonical SMILES for 1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1) is O=C(O)c1nnc(Cc2ccccc2)o1.[K].
What is the InChIKey of 1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1)?
The InChIKey is XKJPSCQTFQNVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3.K/c13-10(14)9-12-11-8(15-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,13,14);.
What are the key properties of 1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1)?
1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1) has a molecular weight of 243.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-Oxadiazole-2-carboxylic acid, 5-(phenylmethyl)-, potassium salt (1:1) is sourced from PubChem (CID 171369959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).