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

C20H25N5O4 — CID 110221184

IUPAC5,5-dimethyl-3-[2-[4-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-oxoethyl]oxolan-2-one
SMILESCc1cnc(-c2nc(C3CCN(C(=O)CC4CC(C)(C)OC4=O)CC3)no2)cn1
InChIInChI=1S/C20H25N5O4/c1-12-10-22-15(11-21-12)18-23-17(24-29-18)13-4-6-25(7-5-13)16(26)8-14-9-20(2,3)28-19(14)27/h10-11,13-14H,4-9H2,1-3H3
InChIKeyFZYRUINCROEWOP-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.27
Rot. Bonds4

About 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

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 (PubChem CID 110221184) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[4-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-oxoethyl]oxolan-2-one
PubChem CID110221184
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name5,5-dimethyl-3-[2-[4-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-oxoethyl]oxolan-2-one
SMILESCc1cnc(-c2nc(C3CCN(C(=O)CC4CC(C)(C)OC4=O)CC3)no2)cn1
InChIInChI=1S/C20H25N5O4/c1-12-10-22-15(11-21-12)18-23-17(24-29-18)13-4-6-25(7-5-13)16(26)8-14-9-20(2,3)28-19(14)27/h10-11,13-14H,4-9H2,1-3H3
InChIKeyFZYRUINCROEWOP-UHFFFAOYSA-N
XLogP2.27
TPSA111.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc(-c2nc(C3CCN(C(=O)CC4CC(C)(C)OC4=O)CC3)no2)cn1.
What is the InChIKey of 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?
The InChIKey is FZYRUINCROEWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-12-10-22-15(11-21-12)18-23-17(24-29-18)13-4-6-25(7-5-13)16(26)8-14-9-20(2,3)28-19(14)27/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 399.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 110221184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).