(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone

C16H18N6O2 — CID 72850551

IUPAC(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone
SMILESCc1nc2c(N3CCCC(C(=O)c4nccn4C)C3)ncnc2o1
InChIInChI=1S/C16H18N6O2/c1-10-20-12-14(18-9-19-16(12)24-10)22-6-3-4-11(8-22)13(23)15-17-5-7-21(15)2/h5,7,9,11H,3-4,6,8H2,1-2H3
InChIKeyCHXRQDFPUFMIMD-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.76
Rot. Bonds3

About (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone

(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone (PubChem CID 72850551) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone
PubChem CID72850551
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone
SMILESCc1nc2c(N3CCCC(C(=O)c4nccn4C)C3)ncnc2o1
InChIInChI=1S/C16H18N6O2/c1-10-20-12-14(18-9-19-16(12)24-10)22-6-3-4-11(8-22)13(23)15-17-5-7-21(15)2/h5,7,9,11H,3-4,6,8H2,1-2H3
InChIKeyCHXRQDFPUFMIMD-UHFFFAOYSA-N
XLogP1.76
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone 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

N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide
CID 46988138
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 97199860
(1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 97197752
(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97279213
(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone
CID 70751141
[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 135098500
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
(3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126447086
[(3S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 97194931
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 72874366
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70772543

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone (CID 72850551) is (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone is Cc1nc2c(N3CCCC(C(=O)c4nccn4C)C3)ncnc2o1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone?
The InChIKey is CHXRQDFPUFMIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-20-12-14(18-9-19-16(12)24-10)22-6-3-4-11(8-22)13(23)15-17-5-7-21(15)2/h5,7,9,11H,3-4,6,8H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone?
(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 72850551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).