(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

C16H22N4O2 — CID 56779723

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2c(C)noc2C)C1
InChIInChI=1S/C16H22N4O2/c1-4-14-17-7-9-20(14)13-6-5-8-19(10-13)16(21)15-11(2)18-22-12(15)3/h7,9,13H,4-6,8,10H2,1-3H3
InChIKeyWXQHKIYYSHVITK-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.53
Rot. Bonds3

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 56779723) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID56779723
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2c(C)noc2C)C1
InChIInChI=1S/C16H22N4O2/c1-4-14-17-7-9-20(14)13-6-5-8-19(10-13)16(21)15-11(2)18-22-12(15)3/h7,9,13H,4-6,8,10H2,1-3H3
InChIKeyWXQHKIYYSHVITK-UHFFFAOYSA-N
XLogP2.53
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 56779725
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779716
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95339825
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 95606545
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95341014
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide
CID 128686368

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (CID 56779723) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is CCc1nccn1C1CCCN(C(=O)c2c(C)noc2C)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is WXQHKIYYSHVITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-14-17-7-9-20(14)13-6-5-8-19(10-13)16(21)15-11(2)18-22-12(15)3/h7,9,13H,4-6,8,10H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56779723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).