(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone

C17H22N4O2 — CID 110105793

IUPAC(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC(c3ccnc(NC)c3)C2)on1
InChIInChI=1S/C17H22N4O2/c1-3-14-10-15(23-20-14)17(22)21-8-4-5-13(11-21)12-6-7-19-16(9-12)18-2/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,18,19)
InChIKeyVOOOXFKAZXVXBJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.69
Rot. Bonds4

About (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone

(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110105793) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
PubChem CID110105793
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC(c3ccnc(NC)c3)C2)on1
InChIInChI=1S/C17H22N4O2/c1-3-14-10-15(23-20-14)17(22)21-8-4-5-13(11-21)12-6-7-19-16(9-12)18-2/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,18,19)
InChIKeyVOOOXFKAZXVXBJ-UHFFFAOYSA-N
XLogP2.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 125011212
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124967467
2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125022184
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124953619
1,3-benzodioxol-5-yl-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124997041
[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110105747
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 124958863
1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 125000164
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125009546
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124971670
3-(4-fluorophenyl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 125018293

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone (CID 110105793) is (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCCC(c3ccnc(NC)c3)C2)on1.
What is the InChIKey of (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is VOOOXFKAZXVXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-14-10-15(23-20-14)17(22)21-8-4-5-13(11-21)12-6-7-19-16(9-12)18-2/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,18,19).
What are the key properties of (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone?
(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110105793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).