4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole

C20H27N5O — CID 171690558

IUPAC4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1ocnc1CN1CCN(c2ccc3nc(C(C)(C)C)cn3c2)CC1
InChIInChI=1S/C20H27N5O/c1-15-17(21-14-26-15)12-23-7-9-24(10-8-23)16-5-6-19-22-18(20(2,3)4)13-25(19)11-16/h5-6,11,13-14H,7-10,12H2,1-4H3
InChIKeyGHQDTTIZAZFGTB-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.25
Rot. Bonds3

About 4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole

4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 171690558) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID171690558
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1ocnc1CN1CCN(c2ccc3nc(C(C)(C)C)cn3c2)CC1
InChIInChI=1S/C20H27N5O/c1-15-17(21-14-26-15)12-23-7-9-24(10-8-23)16-5-6-19-22-18(20(2,3)4)13-25(19)11-16/h5-6,11,13-14H,7-10,12H2,1-4H3
InChIKeyGHQDTTIZAZFGTB-UHFFFAOYSA-N
XLogP3.25
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 171690558) is 4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1ocnc1CN1CCN(c2ccc3nc(C(C)(C)C)cn3c2)CC1.
What is the InChIKey of 4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is GHQDTTIZAZFGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-17(21-14-26-15)12-23-7-9-24(10-8-23)16-5-6-19-22-18(20(2,3)4)13-25(19)11-16/h5-6,11,13-14H,7-10,12H2,1-4H3.
What are the key properties of 4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 353.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 171690558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).