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

C18H19N5O2 — CID 146085166

IUPAC(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCc1noc2ncc(C(=O)N3CCN(c4ccccn4)CC3)cc12
InChIInChI=1S/C18H19N5O2/c1-2-15-14-11-13(12-20-17(14)25-21-15)18(24)23-9-7-22(8-10-23)16-5-3-4-6-19-16/h3-6,11-12H,2,7-10H2,1H3
InChIKeyLCKXZDHSHSLMBB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.14
Rot. Bonds3

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

(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 146085166) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID146085166
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCc1noc2ncc(C(=O)N3CCN(c4ccccn4)CC3)cc12
InChIInChI=1S/C18H19N5O2/c1-2-15-14-11-13(12-20-17(14)25-21-15)18(24)23-9-7-22(8-10-23)16-5-3-4-6-19-16/h3-6,11-12H,2,7-10H2,1H3
InChIKeyLCKXZDHSHSLMBB-UHFFFAOYSA-N
XLogP2.14
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86968778
4-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]benzamide
CID 86969093
N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106704
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 126769214
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238602
[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238611
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112768640
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[2-[2-(dimethylamino)ethylamino]pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109252908

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 146085166) is (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCc1noc2ncc(C(=O)N3CCN(c4ccccn4)CC3)cc12.
What is the InChIKey of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LCKXZDHSHSLMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-15-14-11-13(12-20-17(14)25-21-15)18(24)23-9-7-22(8-10-23)16-5-3-4-6-19-16/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 146085166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).