2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole

C22H16N4O — CID 45278789

IUPAC2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole
SMILESc1ccc2c(c1)CN(c1nc3cc(-c4ccc5nccn5c4)ccc3o1)C2
InChIInChI=1S/C22H16N4O/c1-2-4-17-14-26(13-16(17)3-1)22-24-19-11-15(5-7-20(19)27-22)18-6-8-21-23-9-10-25(21)12-18/h1-12H,13-14H2
InChIKeyHINAWTMLKCONKH-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.66
Rot. Bonds2

About 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole

2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole (PubChem CID 45278789) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole
PubChem CID45278789
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole
SMILESc1ccc2c(c1)CN(c1nc3cc(-c4ccc5nccn5c4)ccc3o1)C2
InChIInChI=1S/C22H16N4O/c1-2-4-17-14-26(13-16(17)3-1)22-24-19-11-15(5-7-20(19)27-22)18-6-8-21-23-9-10-25(21)12-18/h1-12H,13-14H2
InChIKeyHINAWTMLKCONKH-UHFFFAOYSA-N
XLogP4.66
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

Serabelisib
CID 70798655
Ontazolast
CID 71458
N-(5-{(1s)-1-[(5-Fluoro-1,3-Benzoxazol-2-Yl)amino]ethyl}-2-Methylphenyl)imidazo[1,2-A]pyridine-3-Carboxamide
CID 86763813
N-(2-cyclohexyl-1-pyridin-2-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 6916044
N-[(1R)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine
CID 9862559
Benzoxazole derivative 1
CID 45109843
2-[4-[[4-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]phenyl]-1,3-benzoxazole
CID 53307788
1-[4-(1,3-Benzoxazol-2-yl)piperidin-1-yl]-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]ethanone
CID 59472771
7-chloro-N-[(2-cyclohexyl-1,3-benzoxazol-5-yl)methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 68235235
7-chloro-2-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235249
6-chloro-2-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235253
6-chloro-N-[(2-cyclohexyl-1,3-benzoxazol-5-yl)methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 68235254

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole (CID 45278789) is 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole is c1ccc2c(c1)CN(c1nc3cc(-c4ccc5nccn5c4)ccc3o1)C2.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole?
The InChIKey is HINAWTMLKCONKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-2-4-17-14-26(13-16(17)3-1)22-24-19-11-15(5-7-20(19)27-22)18-6-8-21-23-9-10-25(21)12-18/h1-12H,13-14H2.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole?
2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole has a molecular weight of 352.40 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-benzoxazole is sourced from PubChem (CID 45278789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).