5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C15H21N5O2 — CID 140516723

IUPAC5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cnc(OC2CCN(c3nc(C(C)C)no3)CC2)nc1
InChIInChI=1S/C15H21N5O2/c1-10(2)13-18-15(22-19-13)20-6-4-12(5-7-20)21-14-16-8-11(3)9-17-14/h8-10,12H,4-7H2,1-3H3
InChIKeyCIIXUUCNNCDQDS-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.34
Rot. Bonds4

About 5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 140516723) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID140516723
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cnc(OC2CCN(c3nc(C(C)C)no3)CC2)nc1
InChIInChI=1S/C15H21N5O2/c1-10(2)13-18-15(22-19-13)20-6-4-12(5-7-20)21-14-16-8-11(3)9-17-14/h8-10,12H,4-7H2,1-3H3
InChIKeyCIIXUUCNNCDQDS-UHFFFAOYSA-N
XLogP2.34
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 70856291
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde
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3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 141278196
3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 67212517
5-[4-(1-butan-2-yloxyethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 155573662
1-(4-fluorophenyl)-N-[5-methyl-6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]oxyethanimine
CID 74975100
5-[4-[1-(3,4-difluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 141175540
5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 86662939
5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133480686
5-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59856806
5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67616450
5-[4-[[6-(6-methoxy-2-methyl-3-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 91101444

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 140516723) is 5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1cnc(OC2CCN(c3nc(C(C)C)no3)CC2)nc1.
What is the InChIKey of 5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is CIIXUUCNNCDQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(2)13-18-15(22-19-13)20-6-4-12(5-7-20)21-14-16-8-11(3)9-17-14/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 303.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 140516723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).