8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H26N6O2 — CID 70731726

IUPAC8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc(N2CCCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)no1
InChIInChI=1S/C19H26N6O2/c1-3-16-22-18(23-27-16)24-8-4-6-19(12-24)7-5-17(26)25(13-19)11-15-10-20-14(2)9-21-15/h9-10H,3-8,11-13H2,1-2H3
InChIKeyMHRXTGDWRJLCDW-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.14
Rot. Bonds4

About 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70731726) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70731726
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc(N2CCCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)no1
InChIInChI=1S/C19H26N6O2/c1-3-16-22-18(23-27-16)24-8-4-6-19(12-24)7-5-17(26)25(13-19)11-15-10-20-14(2)9-21-15/h9-10H,3-8,11-13H2,1-2H3
InChIKeyMHRXTGDWRJLCDW-UHFFFAOYSA-N
XLogP2.14
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70731726) is 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is CCc1nc(N2CCCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)no1.
What is the InChIKey of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is MHRXTGDWRJLCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-3-16-22-18(23-27-16)24-8-4-6-19(12-24)7-5-17(26)25(13-19)11-15-10-20-14(2)9-21-15/h9-10H,3-8,11-13H2,1-2H3.
What are the key properties of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70731726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).