(2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone

C18H26N4O2 — CID 71877407

IUPAC(2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
SMILESCC1CN(C)CCN1C(=O)c1cnc2onc(CC(C)(C)C)c2c1
InChIInChI=1S/C18H26N4O2/c1-12-11-21(5)6-7-22(12)17(23)13-8-14-15(9-18(2,3)4)20-24-16(14)19-10-13/h8,10,12H,6-7,9,11H2,1-5H3
InChIKeyZRJFPCFJYJKUQK-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.59
Rot. Bonds2

About (2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone

(2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 71877407) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID71877407
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
SMILESCC1CN(C)CCN1C(=O)c1cnc2onc(CC(C)(C)C)c2c1
InChIInChI=1S/C18H26N4O2/c1-12-11-21(5)6-7-22(12)17(23)13-8-14-15(9-18(2,3)4)20-24-16(14)19-10-13/h8,10,12H,6-7,9,11H2,1-5H3
InChIKeyZRJFPCFJYJKUQK-UHFFFAOYSA-N
XLogP2.59
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone (CID 71877407) is (2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone is CC1CN(C)CCN1C(=O)c1cnc2onc(CC(C)(C)C)c2c1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is ZRJFPCFJYJKUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-11-21(5)6-7-22(12)17(23)13-8-14-15(9-18(2,3)4)20-24-16(14)19-10-13/h8,10,12H,6-7,9,11H2,1-5H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
(2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 71877407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).