2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone

C15H19N5O2 — CID 125008288

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCc1nccc([C@H]2CCCN(C(=O)Cc3nonc3C)C2)n1
InChIInChI=1S/C15H19N5O2/c1-10-14(19-22-18-10)8-15(21)20-7-3-4-12(9-20)13-5-6-16-11(2)17-13/h5-6,12H,3-4,7-9H2,1-2H3/t12-/m0/s1
InChIKeyUTYKYAPDNUQHNS-LBPRGKRZSA-N
MW301.35 g/mol
LogP1.43
Rot. Bonds3

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone

2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 125008288) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID125008288
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCc1nccc([C@H]2CCCN(C(=O)Cc3nonc3C)C2)n1
InChIInChI=1S/C15H19N5O2/c1-10-14(19-22-18-10)8-15(21)20-7-3-4-12(9-20)13-5-6-16-11(2)17-13/h5-6,12H,3-4,7-9H2,1-2H3/t12-/m0/s1
InChIKeyUTYKYAPDNUQHNS-LBPRGKRZSA-N
XLogP1.43
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 124982287
2-methyl-4-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136822825
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 125024089
2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119069928
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110115055
3-(3-methylpyrazol-1-yl)-1-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 125021719
1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 95814306
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 77080783
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124968705
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 125008288) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone is Cc1nccc([C@H]2CCCN(C(=O)Cc3nonc3C)C2)n1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is UTYKYAPDNUQHNS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-14(19-22-18-10)8-15(21)20-7-3-4-12(9-20)13-5-6-16-11(2)17-13/h5-6,12H,3-4,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 301.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 125008288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).