5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one

C15H22N4O4 — CID 90330155

IUPAC5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one
SMILESCC(O)C(C)C(=O)N1C(C)CCC12CN(Cc1ncno1)C2=O
InChIInChI=1S/C15H22N4O4/c1-9-4-5-15(19(9)13(21)10(2)11(3)20)7-18(14(15)22)6-12-16-8-17-23-12/h8-11,20H,4-7H2,1-3H3
InChIKeyGKQPVPWJNKJKPA-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.18
Rot. Bonds4

About 5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one

5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 90330155) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one
PubChem CID90330155
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one
SMILESCC(O)C(C)C(=O)N1C(C)CCC12CN(Cc1ncno1)C2=O
InChIInChI=1S/C15H22N4O4/c1-9-4-5-15(19(9)13(21)10(2)11(3)20)7-18(14(15)22)6-12-16-8-17-23-12/h8-11,20H,4-7H2,1-3H3
InChIKeyGKQPVPWJNKJKPA-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of 5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one (CID 90330155) is 5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for 5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for 5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one is CC(O)C(C)C(=O)N1C(C)CCC12CN(Cc1ncno1)C2=O.
What is the InChIKey of 5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is GKQPVPWJNKJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-9-4-5-15(19(9)13(21)10(2)11(3)20)7-18(14(15)22)6-12-16-8-17-23-12/h8-11,20H,4-7H2,1-3H3.
What are the key properties of 5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one?
5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 322.37 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 90330155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).