2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C11H8N4O3 — CID 136923438

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCc1cc(-c2nc3nccc(C(=O)O)c3[nH]2)on1
InChIInChI=1S/C11H8N4O3/c1-5-4-7(18-15-5)9-13-8-6(11(16)17)2-3-12-10(8)14-9/h2-4H,1H3,(H,16,17)(H,12,13,14)
InChIKeyXBMUHJHBFOGEPV-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.62
Rot. Bonds2

About 2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 136923438) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID136923438
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCc1cc(-c2nc3nccc(C(=O)O)c3[nH]2)on1
InChIInChI=1S/C11H8N4O3/c1-5-4-7(18-15-5)9-13-8-6(11(16)17)2-3-12-10(8)14-9/h2-4H,1H3,(H,16,17)(H,12,13,14)
InChIKeyXBMUHJHBFOGEPV-UHFFFAOYSA-N
XLogP1.62
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylisoxazol-5-yl)-1H-imidazo[4,5-c]quinoline
CID 135417207
3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135456681
3-ethyl-5-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135417231
3-Methyl-5-(3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole
CID 135452018
3-Methyl-5-(3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraen-4-yl)-1,2-oxazole
CID 135513812
4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoxazole-3-carboxamide
CID 76684327
2-Methyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 53629220
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-imidazole-4-carboxylic acid
CID 53353076
1-(4-(3-Isopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl)-1H-imidazole-4-carboxylic acid
CID 53353079
2-amino-3-ethyl-N-[(3-ethylisoxazol-5-yl)methyl]-N-methyl-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 70725960
2-methyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid hydrochloride
CID 132342078
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid
CID 67134834

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 136923438) is 2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is Cc1cc(-c2nc3nccc(C(=O)O)c3[nH]2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is XBMUHJHBFOGEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c1-5-4-7(18-15-5)9-13-8-6(11(16)17)2-3-12-10(8)14-9/h2-4H,1H3,(H,16,17)(H,12,13,14).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 136923438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).