3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole

C20H21N5O — CID 171998247

IUPAC3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole
SMILESc1ccc2c(CN3CCN(Cc4cn5ccccc5n4)CC3)noc2c1
InChIInChI=1S/C20H21N5O/c1-2-6-19-17(5-1)18(22-26-19)15-24-11-9-23(10-12-24)13-16-14-25-8-4-3-7-20(25)21-16/h1-8,14H,9-13,15H2
InChIKeyVJODOXYABSWQPB-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.79
Rot. Bonds4

About 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole

3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole (PubChem CID 171998247) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole
PubChem CID171998247
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole
SMILESc1ccc2c(CN3CCN(Cc4cn5ccccc5n4)CC3)noc2c1
InChIInChI=1S/C20H21N5O/c1-2-6-19-17(5-1)18(22-26-19)15-24-11-9-23(10-12-24)13-16-14-25-8-4-3-7-20(25)21-16/h1-8,14H,9-13,15H2
InChIKeyVJODOXYABSWQPB-UHFFFAOYSA-N
XLogP2.79
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997329
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 4701931
3-[[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997360
2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011249
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 80677191
2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 6464477
5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897858
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11516033
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 134011279

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole?
The IUPAC name of 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole (CID 171998247) is 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole?
The canonical SMILES for 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole is c1ccc2c(CN3CCN(Cc4cn5ccccc5n4)CC3)noc2c1.
What is the InChIKey of 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole?
The InChIKey is VJODOXYABSWQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-6-19-17(5-1)18(22-26-19)15-24-11-9-23(10-12-24)13-16-14-25-8-4-3-7-20(25)21-16/h1-8,14H,9-13,15H2.
What are the key properties of 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole?
3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole has a molecular weight of 347.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole is sourced from PubChem (CID 171998247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).