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

C16H22N4O2 — CID 110103951

IUPAC[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCCC(c3nc(C)cn3C)C2)on1
InChIInChI=1S/C16H22N4O2/c1-4-13-8-14(22-18-13)16(21)20-7-5-6-12(10-20)15-17-11(2)9-19(15)3/h8-9,12H,4-7,10H2,1-3H3
InChIKeyTYEWUISKOKLTSM-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.30
Rot. Bonds3

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

[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone (PubChem CID 110103951) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
PubChem CID110103951
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCCC(c3nc(C)cn3C)C2)on1
InChIInChI=1S/C16H22N4O2/c1-4-13-8-14(22-18-13)16(21)20-7-5-6-12(10-20)15-17-11(2)9-19(15)3/h8-9,12H,4-7,10H2,1-3H3
InChIKeyTYEWUISKOKLTSM-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 124962004
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125009546
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124953619
(3-ethyl-1,2-oxazol-5-yl)-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110103345
(3-cyclohexyl-1,2-oxazol-5-yl)-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105329
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92589101
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124971670
(3-methyl-1,2-oxazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947250
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92588632
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094

Frequently Asked Questions

What is the IUPAC name of [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone (CID 110103951) is [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone is CCc1cc(C(=O)N2CCCC(c3nc(C)cn3C)C2)on1.
What is the InChIKey of [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone?
The InChIKey is TYEWUISKOKLTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-13-8-14(22-18-13)16(21)20-7-5-6-12(10-20)15-17-11(2)9-19(15)3/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone?
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 110103951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).