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

C19H20N4O2 — CID 46270738

IUPAC(2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3nc4cccnc4o3)CC2)c1C
InChIInChI=1S/C19H20N4O2/c1-13-5-3-6-15(14(13)2)18(24)22-9-11-23(12-10-22)19-21-16-7-4-8-20-17(16)25-19/h3-8H,9-12H2,1-2H3
InChIKeyHRBNCYSVJQJYSX-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.80
Rot. Bonds2

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

(2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 46270738) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID46270738
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name(2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3nc4cccnc4o3)CC2)c1C
InChIInChI=1S/C19H20N4O2/c1-13-5-3-6-15(14(13)2)18(24)22-9-11-23(12-10-22)19-21-16-7-4-8-20-17(16)25-19/h3-8H,9-12H2,1-2H3
InChIKeyHRBNCYSVJQJYSX-UHFFFAOYSA-N
XLogP2.80
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[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
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
(2-hydroxy-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43824625
(2-bromophenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 50755015
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856697
[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490689
(4-methylphenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270792
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
[1,2-diamino-2-(2,3-dimethylphenyl)azaniumylideneethylidene]-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]azanium
CID 143076958

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 46270738) is (2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(c3nc4cccnc4o3)CC2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is HRBNCYSVJQJYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-5-3-6-15(14(13)2)18(24)22-9-11-23(12-10-22)19-21-16-7-4-8-20-17(16)25-19/h3-8H,9-12H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
(2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 336.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46270738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).