(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C15H21N5O2 — CID 95765310

IUPAC(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)[nH]1
InChIInChI=1S/C15H21N5O2/c1-9(2)14-18-13(19-22-14)11-5-4-6-20(8-11)15(21)12-7-16-10(3)17-12/h7,9,11H,4-6,8H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyNNPFMCCOLPILFN-LLVKDONJSA-N
MW303.37 g/mol
LogP2.24
Rot. Bonds3

About (2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 95765310) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID95765310
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)[nH]1
InChIInChI=1S/C15H21N5O2/c1-9(2)14-18-13(19-22-14)11-5-4-6-20(8-11)15(21)12-7-16-10(3)17-12/h7,9,11H,4-6,8H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyNNPFMCCOLPILFN-LLVKDONJSA-N
XLogP2.24
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 95765310) is (2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1ncc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)[nH]1.
What is the InChIKey of (2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is NNPFMCCOLPILFN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9(2)14-18-13(19-22-14)11-5-4-6-20(8-11)15(21)12-7-16-10(3)17-12/h7,9,11H,4-6,8H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 303.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95765310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).