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

C12H9N5O3 — CID 53337685

IUPAC1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid
SMILESCc1nc(-c2cccnc2-n2cnc(C(=O)O)c2)no1
InChIInChI=1S/C12H9N5O3/c1-7-15-10(16-20-7)8-3-2-4-13-11(8)17-5-9(12(18)19)14-6-17/h2-6H,1H3,(H,18,19)
InChIKeySZXVKDRAIRAISF-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.32
Rot. Bonds3

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

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid (PubChem CID 53337685) has the molecular formula C12H9N5O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid
PubChem CID53337685
Molecular FormulaC12H9N5O3
Molecular Weight271.24 g/mol
Exact Mass271.07
IUPAC Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid
SMILESCc1nc(-c2cccnc2-n2cnc(C(=O)O)c2)no1
InChIInChI=1S/C12H9N5O3/c1-7-15-10(16-20-7)8-3-2-4-13-11(8)17-5-9(12(18)19)14-6-17/h2-6H,1H3,(H,18,19)
InChIKeySZXVKDRAIRAISF-UHFFFAOYSA-N
XLogP1.32
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid (CID 53337685) is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid is Cc1nc(-c2cccnc2-n2cnc(C(=O)O)c2)no1.
What is the InChIKey of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The InChIKey is SZXVKDRAIRAISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3/c1-7-15-10(16-20-7)8-3-2-4-13-11(8)17-5-9(12(18)19)14-6-17/h2-6H,1H3,(H,18,19).
What are the key properties of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid has a molecular weight of 271.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 53337685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).