5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole

C23H27N5O2 — CID 11281186

IUPAC5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(-c3cnc(OC4CCN(C5CCCC5)CC4)nc3)cc2)n1
InChIInChI=1S/C23H27N5O2/c1-16-26-22(30-27-16)18-8-6-17(7-9-18)19-14-24-23(25-15-19)29-21-10-12-28(13-11-21)20-4-2-3-5-20/h6-9,14-15,20-21H,2-5,10-13H2,1H3
InChIKeyGPTJSALXLVUDHQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.29
Rot. Bonds5

About 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole

5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 11281186) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole
PubChem CID11281186
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(-c3cnc(OC4CCN(C5CCCC5)CC4)nc3)cc2)n1
InChIInChI=1S/C23H27N5O2/c1-16-26-22(30-27-16)18-8-6-17(7-9-18)19-14-24-23(25-15-19)29-21-10-12-28(13-11-21)20-4-2-3-5-20/h6-9,14-15,20-21H,2-5,10-13H2,1H3
InChIKeyGPTJSALXLVUDHQ-UHFFFAOYSA-N
XLogP4.29
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]-1H-pyridin-2-one
CID 11371220
5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole
CID 71271824
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 59657786
5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
CID 91283745
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
(2S,3R)-2-methyl-3-[5-(4-methylphenyl)pyrimidin-2-yl]oxy-1-azabicyclo[2.2.2]octane
CID 68716644
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 72844232
6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-4,4-dimethyl-2,5-dihydropyridin-3-one
CID 58522845

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole (CID 11281186) is 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ccc(-c3cnc(OC4CCN(C5CCCC5)CC4)nc3)cc2)n1.
What is the InChIKey of 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is GPTJSALXLVUDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-26-22(30-27-16)18-8-6-17(7-9-18)19-14-24-23(25-15-19)29-21-10-12-28(13-11-21)20-4-2-3-5-20/h6-9,14-15,20-21H,2-5,10-13H2,1H3.
What are the key properties of 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole?
5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 405.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 11281186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).