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

C20H28N4O2 — CID 124962004

IUPAC(3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)n1
InChIInChI=1S/C20H28N4O2/c1-14-12-23(2)19(21-14)16-9-6-10-24(13-16)20(25)18-11-17(22-26-18)15-7-4-3-5-8-15/h11-12,15-16H,3-10,13H2,1-2H3/t16-/m1/s1
InChIKeyHFRTZVZQZUCNIG-MRXNPFEDSA-N
MW356.47 g/mol
LogP3.78
Rot. Bonds3

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

(3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 124962004) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID124962004
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)n1
InChIInChI=1S/C20H28N4O2/c1-14-12-23(2)19(21-14)16-9-6-10-24(13-16)20(25)18-11-17(22-26-18)15-7-4-3-5-8-15/h11-12,15-16H,3-10,13H2,1-2H3/t16-/m1/s1
InChIKeyHFRTZVZQZUCNIG-MRXNPFEDSA-N
XLogP3.78
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclohexyl-1,2-oxazol-5-yl)-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105329
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110103951
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 124997453
1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 110104156
3-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 124960618
1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 110229079
(3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110265764
(3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 97191970
1-[2-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 124997145
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124943573

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone (CID 124962004) is (3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone is Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)n1.
What is the InChIKey of (3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HFRTZVZQZUCNIG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-12-23(2)19(21-14)16-9-6-10-24(13-16)20(25)18-11-17(22-26-18)15-7-4-3-5-8-15/h11-12,15-16H,3-10,13H2,1-2H3/t16-/m1/s1.
What are the key properties of (3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone?
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124962004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).