5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid

C7H6N4O3 — CID 61397267

IUPAC5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cn2cncn2)on1
InChIInChI=1S/C7H6N4O3/c12-7(13)6-1-5(14-10-6)2-11-4-8-3-9-11/h1,3-4H,2H2,(H,12,13)
InChIKeyRSRJCEITEPXCLC-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.01
Rot. Bonds3

About 5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid

5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 61397267) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID61397267
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cn2cncn2)on1
InChIInChI=1S/C7H6N4O3/c12-7(13)6-1-5(14-10-6)2-11-4-8-3-9-11/h1,3-4H,2H2,(H,12,13)
InChIKeyRSRJCEITEPXCLC-UHFFFAOYSA-N
XLogP0.01
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid (CID 61397267) is 5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(Cn2cncn2)on1.
What is the InChIKey of 5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is RSRJCEITEPXCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-7(13)6-1-5(14-10-6)2-11-4-8-3-9-11/h1,3-4H,2H2,(H,12,13).
What are the key properties of 5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid?
5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).