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

C12H9N5O3 — CID 136991739

IUPAC5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
SMILESCc1ccnc(-c2noc(-c3[nH]cnc3C(=O)O)n2)c1
InChIInChI=1S/C12H9N5O3/c1-6-2-3-13-7(4-6)10-16-11(20-17-10)8-9(12(18)19)15-5-14-8/h2-5H,1H3,(H,14,15)(H,18,19)
InChIKeyPMVUPVNQFLCKOW-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.53
Rot. Bonds3

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

5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid (PubChem CID 136991739) has the molecular formula C12H9N5O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
PubChem CID136991739
Molecular FormulaC12H9N5O3
Molecular Weight271.24 g/mol
Exact Mass271.07
IUPAC Name5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
SMILESCc1ccnc(-c2noc(-c3[nH]cnc3C(=O)O)n2)c1
InChIInChI=1S/C12H9N5O3/c1-6-2-3-13-7(4-6)10-16-11(20-17-10)8-9(12(18)19)15-5-14-8/h2-5H,1H3,(H,14,15)(H,18,19)
InChIKeyPMVUPVNQFLCKOW-UHFFFAOYSA-N
XLogP1.53
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid
CID 136991685
3,3-dimethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 63840927
3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841342
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid
CID 71289011
N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841053
2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519
3-chloro-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63840346
1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 63840780
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 55257340
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632
6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 63839625
5-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136997481

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid (CID 136991739) is 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid is Cc1ccnc(-c2noc(-c3[nH]cnc3C(=O)O)n2)c1.
What is the InChIKey of 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The InChIKey is PMVUPVNQFLCKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3/c1-6-2-3-13-7(4-6)10-16-11(20-17-10)8-9(12(18)19)15-5-14-8/h2-5H,1H3,(H,14,15)(H,18,19).
What are the key properties of 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid has a molecular weight of 271.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 136991739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).