8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H23N5O4 — CID 165425311

IUPAC8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1nonc1CC(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC(C)C
InChIInChI=1S/C16H23N5O4/c1-10(2)9-21-15(24)17-14(23)16(21)4-6-20(7-5-16)13(22)8-12-11(3)18-25-19-12/h10H,4-9H2,1-3H3,(H,17,23,24)
InChIKeyXBRCHALCIVHCHW-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.49
Rot. Bonds4

About 8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165425311) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165425311
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1nonc1CC(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC(C)C
InChIInChI=1S/C16H23N5O4/c1-10(2)9-21-15(24)17-14(23)16(21)4-6-20(7-5-16)13(22)8-12-11(3)18-25-19-12/h10H,4-9H2,1-3H3,(H,17,23,24)
InChIKeyXBRCHALCIVHCHW-UHFFFAOYSA-N
XLogP0.49
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165425311) is 8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1nonc1CC(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC(C)C.
What is the InChIKey of 8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XBRCHALCIVHCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-10(2)9-21-15(24)17-14(23)16(21)4-6-20(7-5-16)13(22)8-12-11(3)18-25-19-12/h10H,4-9H2,1-3H3,(H,17,23,24).
What are the key properties of 8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165425311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).