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

C17H11N5O3 — CID 53353072

IUPAC1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C17H11N5O3/c23-17(24)13-9-22(10-19-13)15-12(7-4-8-18-15)16-20-14(21-25-16)11-5-2-1-3-6-11/h1-10H,(H,23,24)
InChIKeyLTZVEOROTAYFEZ-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.68
Rot. Bonds4

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

1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid (PubChem CID 53353072) has the molecular formula C17H11N5O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
PubChem CID53353072
Molecular FormulaC17H11N5O3
Molecular Weight333.31 g/mol
Exact Mass333.09
IUPAC Name1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C17H11N5O3/c23-17(24)13-9-22(10-19-13)15-12(7-4-8-18-15)16-20-14(21-25-16)11-5-2-1-3-6-11/h1-10H,(H,23,24)
InChIKeyLTZVEOROTAYFEZ-UHFFFAOYSA-N
XLogP2.68
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid (CID 53353072) is 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid is O=C(O)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The InChIKey is LTZVEOROTAYFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O3/c23-17(24)13-9-22(10-19-13)15-12(7-4-8-18-15)16-20-14(21-25-16)11-5-2-1-3-6-11/h1-10H,(H,23,24).
What are the key properties of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid has a molecular weight of 333.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 53353072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).