1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C15H22N4O4 — CID 122557880

IUPAC1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCCc1nc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)no1
InChIInChI=1S/C15H22N4O4/c1-3-4-11-16-14(17-23-11)19-7-5-15(6-8-19)10(13(21)22)9-12(20)18(15)2/h10H,3-9H2,1-2H3,(H,21,22)
InChIKeyUOCUAWGBHDKQQB-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.92
Rot. Bonds4

About 1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 122557880) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID122557880
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCCc1nc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)no1
InChIInChI=1S/C15H22N4O4/c1-3-4-11-16-14(17-23-11)19-7-5-15(6-8-19)10(13(21)22)9-12(20)18(15)2/h10H,3-9H2,1-2H3,(H,21,22)
InChIKeyUOCUAWGBHDKQQB-UHFFFAOYSA-N
XLogP0.92
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 122557880) is 1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CCCc1nc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)no1.
What is the InChIKey of 1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is UOCUAWGBHDKQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-3-4-11-16-14(17-23-11)19-7-5-15(6-8-19)10(13(21)22)9-12(20)18(15)2/h10H,3-9H2,1-2H3,(H,21,22).
What are the key properties of 1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 122557880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).