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

C20H21N5OS — CID 134011279

IUPAC4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(CN3CCN(Cc4cn5ccccc5n4)CC3)co2)c1
InChIInChI=1S/C20H21N5OS/c1-2-6-25-14-16(21-19(25)5-1)12-23-7-9-24(10-8-23)13-17-15-26-20(22-17)18-4-3-11-27-18/h1-6,11,14-15H,7-10,12-13H2
InChIKeyPQHYXSDHTCSFBJ-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.37
Rot. Bonds5

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

4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 134011279) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID134011279
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(CN3CCN(Cc4cn5ccccc5n4)CC3)co2)c1
InChIInChI=1S/C20H21N5OS/c1-2-6-25-14-16(21-19(25)5-1)12-23-7-9-24(10-8-23)13-17-15-26-20(22-17)18-4-3-11-27-18/h1-6,11,14-15H,7-10,12-13H2
InChIKeyPQHYXSDHTCSFBJ-UHFFFAOYSA-N
XLogP3.37
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 46807668
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 134056723
N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 119926543
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920709
2-morpholin-4-yl-1-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 29484382
2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 47012868
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 61295934
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 9117427
4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 9116647
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284
1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 26384632

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (CID 134011279) is 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is c1csc(-c2nc(CN3CCN(Cc4cn5ccccc5n4)CC3)co2)c1.
What is the InChIKey of 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is PQHYXSDHTCSFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-2-6-25-14-16(21-19(25)5-1)12-23-7-9-24(10-8-23)13-17-15-26-20(22-17)18-4-3-11-27-18/h1-6,11,14-15H,7-10,12-13H2.
What are the key properties of 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 379.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 134011279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).