[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone

C20H18N6O3 — CID 50752799

IUPAC[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCN(c4nc5cccnc5o4)CC3)c2)no1
InChIInChI=1S/C20H18N6O3/c1-13-22-17(24-29-13)14-4-2-5-15(12-14)19(27)25-8-10-26(11-9-25)20-23-16-6-3-7-21-18(16)28-20/h2-7,12H,8-11H2,1H3
InChIKeyRYSDJRFEWRZQSG-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.54
Rot. Bonds3

About [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone

[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 50752799) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID50752799
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCN(c4nc5cccnc5o4)CC3)c2)no1
InChIInChI=1S/C20H18N6O3/c1-13-22-17(24-29-13)14-4-2-5-15(12-14)19(27)25-8-10-26(11-9-25)20-23-16-6-3-7-21-18(16)28-20/h2-7,12H,8-11H2,1H3
InChIKeyRYSDJRFEWRZQSG-UHFFFAOYSA-N
XLogP2.54
TPSA101.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone 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

(2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270738
[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110355859
[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 22581254
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 53148865
(3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 71009872
2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50778980
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 71009964
[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321657
[4-(pyridine-2-carbonyl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 67325900
[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50778885

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 50752799) is [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is Cc1nc(-c2cccc(C(=O)N3CCN(c4nc5cccnc5o4)CC3)c2)no1.
What is the InChIKey of [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is RYSDJRFEWRZQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-13-22-17(24-29-13)14-4-2-5-15(12-14)19(27)25-8-10-26(11-9-25)20-23-16-6-3-7-21-18(16)28-20/h2-7,12H,8-11H2,1H3.
What are the key properties of [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 390.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 50752799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).