5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole

C17H23N5O2 — CID 110221177

IUPAC5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc(C3CCN(CC4CCOC4)CC3)no2)cn1
InChIInChI=1S/C17H23N5O2/c1-12-8-19-15(9-18-12)17-20-16(21-24-17)14-2-5-22(6-3-14)10-13-4-7-23-11-13/h8-9,13-14H,2-7,10-11H2,1H3
InChIKeyYUMSPIQXRXXQSP-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.05
Rot. Bonds4

About 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole

5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 110221177) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID110221177
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc(C3CCN(CC4CCOC4)CC3)no2)cn1
InChIInChI=1S/C17H23N5O2/c1-12-8-19-15(9-18-12)17-20-16(21-24-17)14-2-5-22(6-3-14)10-13-4-7-23-11-13/h8-9,13-14H,2-7,10-11H2,1H3
InChIKeyYUMSPIQXRXXQSP-UHFFFAOYSA-N
XLogP2.05
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 92563106
3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 92562032
5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025950
4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
CID 155201522
5,5-dimethyl-3-[2-[4-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-oxoethyl]oxolan-2-one
CID 110221184
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
5-methyl-2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 75484483
2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine
CID 124755852
3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 52903741
4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 133335978
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole (CID 110221177) is 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole is Cc1cnc(-c2nc(C3CCN(CC4CCOC4)CC3)no2)cn1.
What is the InChIKey of 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is YUMSPIQXRXXQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-8-19-15(9-18-12)17-20-16(21-24-17)14-2-5-22(6-3-14)10-13-4-7-23-11-13/h8-9,13-14H,2-7,10-11H2,1H3.
What are the key properties of 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 329.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylpyrazin-2-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 110221177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).