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

C18H26N4O2 — CID 56779725

IUPAC[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2c(C)noc2C(C)C)C1
InChIInChI=1S/C18H26N4O2/c1-5-15-19-8-10-22(15)14-7-6-9-21(11-14)18(23)16-13(4)20-24-17(16)12(2)3/h8,10,12,14H,5-7,9,11H2,1-4H3
InChIKeyPXZWKRKWZPFGNW-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.34
Rot. Bonds4

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

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 56779725) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID56779725
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2c(C)noc2C(C)C)C1
InChIInChI=1S/C18H26N4O2/c1-5-15-19-8-10-22(15)14-7-6-9-21(11-14)18(23)16-13(4)20-24-17(16)12(2)3/h8,10,12,14H,5-7,9,11H2,1-4H3
InChIKeyPXZWKRKWZPFGNW-UHFFFAOYSA-N
XLogP3.34
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779723
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779716
[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 43403556
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 95606545
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95339825
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
2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide
CID 95292316
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
3-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503836
ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate
CID 94809108
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 56779725) is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is CCc1nccn1C1CCCN(C(=O)c2c(C)noc2C(C)C)C1.
What is the InChIKey of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is PXZWKRKWZPFGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-15-19-8-10-22(15)14-7-6-9-21(11-14)18(23)16-13(4)20-24-17(16)12(2)3/h8,10,12,14H,5-7,9,11H2,1-4H3.
What are the key properties of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 56779725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).