[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

C17H22N4O2 — CID 119648082

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
SMILESCCNCC1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1
InChIInChI=1S/C17H22N4O2/c1-2-18-12-13-5-9-21(10-6-13)17(22)15-11-16(23-20-15)14-3-7-19-8-4-14/h3-4,7-8,11,13,18H,2,5-6,9-10,12H2,1H3
InChIKeyYFRZBIBMSKGXFJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.20
Rot. Bonds5

About [4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (PubChem CID 119648082) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
PubChem CID119648082
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
SMILESCCNCC1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1
InChIInChI=1S/C17H22N4O2/c1-2-18-12-13-5-9-21(10-6-13)17(22)15-11-16(23-20-15)14-3-7-19-8-4-14/h3-4,7-8,11,13,18H,2,5-6,9-10,12H2,1H3
InChIKeyYFRZBIBMSKGXFJ-UHFFFAOYSA-N
XLogP2.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 119639120
(3-hydroxypiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 110899930
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119644862
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543271
[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119648286
[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 112838896
2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 112845684

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (CID 119648082) is [4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is CCNCC1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is YFRZBIBMSKGXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-18-12-13-5-9-21(10-6-13)17(22)15-11-16(23-20-15)14-3-7-19-8-4-14/h3-4,7-8,11,13,18H,2,5-6,9-10,12H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 119648082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).