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

C17H24N4O2 — CID 97189613

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@H](c2nccn2C(C)C)C1
InChIInChI=1S/C17H24N4O2/c1-11(2)21-9-7-18-16(21)14-6-5-8-20(10-14)17(22)15-12(3)19-23-13(15)4/h7,9,11,14H,5-6,8,10H2,1-4H3/t14-/m0/s1
InChIKeyHCXVKSRRAKATIJ-AWEZNQCLSA-N
MW316.41 g/mol
LogP3.09
Rot. Bonds3

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 97189613) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID97189613
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@H](c2nccn2C(C)C)C1
InChIInChI=1S/C17H24N4O2/c1-11(2)21-9-7-18-16(21)14-6-5-8-20(10-14)17(22)15-12(3)19-23-13(15)4/h7,9,11,14H,5-6,8,10H2,1-4H3/t14-/m0/s1
InChIKeyHCXVKSRRAKATIJ-AWEZNQCLSA-N
XLogP3.09
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
3,5-dimethyl-4-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 97199064
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945
5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 97281034
(2-hydroxy-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97272457
(2-chloro-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97198650
(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 72881750
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270937
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845478
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779723
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97203995

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (CID 97189613) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCC[C@H](c2nccn2C(C)C)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HCXVKSRRAKATIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)21-9-7-18-16(21)14-6-5-8-20(10-14)17(22)15-12(3)19-23-13(15)4/h7,9,11,14H,5-6,8,10H2,1-4H3/t14-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 316.41 g/mol, XLogP of 3.09, 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)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97189613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).