1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid

C11H15N5O3 — CID 62055596

IUPAC1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)nnn1Cc1nnc(CC)o1
InChIInChI=1S/C11H15N5O3/c1-3-5-7-10(11(17)18)14-15-16(7)6-9-13-12-8(4-2)19-9/h3-6H2,1-2H3,(H,17,18)
InChIKeyFJTKWPHQLOOLGS-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.92
Rot. Bonds6

About 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid (PubChem CID 62055596) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid
PubChem CID62055596
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)nnn1Cc1nnc(CC)o1
InChIInChI=1S/C11H15N5O3/c1-3-5-7-10(11(17)18)14-15-16(7)6-9-13-12-8(4-2)19-9/h3-6H2,1-2H3,(H,17,18)
InChIKeyFJTKWPHQLOOLGS-UHFFFAOYSA-N
XLogP0.92
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid (CID 62055596) is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid is CCCc1c(C(=O)O)nnn1Cc1nnc(CC)o1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid?
The InChIKey is FJTKWPHQLOOLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-3-5-7-10(11(17)18)14-15-16(7)6-9-13-12-8(4-2)19-9/h3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid?
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid is sourced from PubChem (CID 62055596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).