(2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

C14H19N5O2 — CID 126441847

IUPAC(2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCc1nccn1[C@H](C)C(=O)N1CCC(c2ncon2)CC1
InChIInChI=1S/C14H19N5O2/c1-10(19-8-5-15-11(19)2)14(20)18-6-3-12(4-7-18)13-16-9-21-17-13/h5,8-10,12H,3-4,6-7H2,1-2H3/t10-/m1/s1
InChIKeyTYCOBVXVONVJOG-SNVBAGLBSA-N
MW289.34 g/mol
LogP1.54
Rot. Bonds3

About (2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

(2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 126441847) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID126441847
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCc1nccn1[C@H](C)C(=O)N1CCC(c2ncon2)CC1
InChIInChI=1S/C14H19N5O2/c1-10(19-8-5-15-11(19)2)14(20)18-6-3-12(4-7-18)13-16-9-21-17-13/h5,8-10,12H,3-4,6-7H2,1-2H3/t10-/m1/s1
InChIKeyTYCOBVXVONVJOG-SNVBAGLBSA-N
XLogP1.54
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylimidazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63811149
3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one
CID 119073153
(2R)-1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-methylimidazol-1-yl)propan-1-one
CID 95871198
1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319
2-cyclopropyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152093
4-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 118778097
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 95140403
(2R)-2-(2-methylimidazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 126445384
2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 72909196
N-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019590
4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 126450488
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124760800

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one (CID 126441847) is (2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one is Cc1nccn1[C@H](C)C(=O)N1CCC(c2ncon2)CC1.
What is the InChIKey of (2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is TYCOBVXVONVJOG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(19-8-5-15-11(19)2)14(20)18-6-3-12(4-7-18)13-16-9-21-17-13/h5,8-10,12H,3-4,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
(2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 289.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126441847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).