5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

C16H21N5O — CID 95307695

IUPAC5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1cc(N2CCC[C@@H](c3nc(C)no3)C2)nc(C2CC2)n1
InChIInChI=1S/C16H21N5O/c1-10-8-14(19-15(17-10)12-5-6-12)21-7-3-4-13(9-21)16-18-11(2)20-22-16/h8,12-13H,3-7,9H2,1-2H3/t13-/m1/s1
InChIKeyWWGGKILIEIMPRH-CYBMUJFWSA-N
MW299.38 g/mol
LogP2.74
Rot. Bonds3

About 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 95307695) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID95307695
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1cc(N2CCC[C@@H](c3nc(C)no3)C2)nc(C2CC2)n1
InChIInChI=1S/C16H21N5O/c1-10-8-14(19-15(17-10)12-5-6-12)21-7-3-4-13(9-21)16-18-11(2)20-22-16/h8,12-13H,3-7,9H2,1-2H3/t13-/m1/s1
InChIKeyWWGGKILIEIMPRH-CYBMUJFWSA-N
XLogP2.74
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine
CID 172899302
4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122137130
3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
CID 94496992
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
CID 86776903
3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 86808870
5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 154836223
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166606133
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98763222
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
CID 133328206
3-(4-fluorophenyl)-5-[(3S)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 52502199

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 95307695) is 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1cc(N2CCC[C@@H](c3nc(C)no3)C2)nc(C2CC2)n1.
What is the InChIKey of 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is WWGGKILIEIMPRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O/c1-10-8-14(19-15(17-10)12-5-6-12)21-7-3-4-13(9-21)16-18-11(2)20-22-16/h8,12-13H,3-7,9H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 299.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95307695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).