5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole

C26H22N8O — CID 139644474

IUPAC5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole
SMILESCCCCc1nc2cccnc2n1-c1cccc(-c2cc(-c3ccccc3-c3nn[nH]n3)no2)c1
InChIInChI=1S/C26H22N8O/c1-2-3-13-24-28-21-12-7-14-27-26(21)34(24)18-9-6-8-17(15-18)23-16-22(31-35-23)19-10-4-5-11-20(19)25-29-32-33-30-25/h4-12,14-16H,2-3,13H2,1H3,(H,29,30,32,33)
InChIKeyQXVLKYVMLBVAOO-UHFFFAOYSA-N
MW462.52 g/mol
LogP5.27
Rot. Bonds7

About 5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole

5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole (PubChem CID 139644474) has the molecular formula C26H22N8O and a molecular weight of 462.52 g/mol. Its IUPAC name is 5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole
PubChem CID139644474
Molecular FormulaC26H22N8O
Molecular Weight462.52 g/mol
Exact Mass462.19
IUPAC Name5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole
SMILESCCCCc1nc2cccnc2n1-c1cccc(-c2cc(-c3ccccc3-c3nn[nH]n3)no2)c1
InChIInChI=1S/C26H22N8O/c1-2-3-13-24-28-21-12-7-14-27-26(21)34(24)18-9-6-8-17(15-18)23-16-22(31-35-23)19-10-4-5-11-20(19)25-29-32-33-30-25/h4-12,14-16H,2-3,13H2,1H3,(H,29,30,32,33)
InChIKeyQXVLKYVMLBVAOO-UHFFFAOYSA-N
XLogP5.27
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine
CID 67943889
3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine
CID 139644506
2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole
CID 67722836
3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159732
2-butyl-5-(1,3-dioxan-2-yl)-6-pyridin-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22100413
7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine
CID 54229757
2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride
CID 174396966
2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 117165971
methyl 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 14962909
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
5-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976756
2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67942959

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole?
The IUPAC name of 5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole (CID 139644474) is 5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole is CCCCc1nc2cccnc2n1-c1cccc(-c2cc(-c3ccccc3-c3nn[nH]n3)no2)c1.
What is the InChIKey of 5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole?
The InChIKey is QXVLKYVMLBVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O/c1-2-3-13-24-28-21-12-7-14-27-26(21)34(24)18-9-6-8-17(15-18)23-16-22(31-35-23)19-10-4-5-11-20(19)25-29-32-33-30-25/h4-12,14-16H,2-3,13H2,1H3,(H,29,30,32,33).
What are the key properties of 5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole?
5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole has a molecular weight of 462.52 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole is sourced from PubChem (CID 139644474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).