2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one

C15H22N4O4 — CID 78318211

IUPAC2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one
SMILESCC(C)C(=O)N1CCCC12CN([C@H](c1ncno1)[C@@H](C)O)C2=O
InChIInChI=1S/C15H22N4O4/c1-9(2)13(21)19-6-4-5-15(19)7-18(14(15)22)11(10(3)20)12-16-8-17-23-12/h8-11,20H,4-7H2,1-3H3/t10-,11+,15?/m1/s1
InChIKeyFJWYZCKZLRIQEJ-SPJRPDJQSA-N
MW322.37 g/mol
LogP0.35
Rot. Bonds4

About 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one

2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 78318211) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one
PubChem CID78318211
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one
SMILESCC(C)C(=O)N1CCCC12CN([C@H](c1ncno1)[C@@H](C)O)C2=O
InChIInChI=1S/C15H22N4O4/c1-9(2)13(21)19-6-4-5-15(19)7-18(14(15)22)11(10(3)20)12-16-8-17-23-12/h8-11,20H,4-7H2,1-3H3/t10-,11+,15?/m1/s1
InChIKeyFJWYZCKZLRIQEJ-SPJRPDJQSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Amino-3-hydroxybutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one
CID 77845919
2-((1S, 2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl)-2,5-diazaspiro[3.4]octan-1-one
CID 78319061
tert-butyl 2-((1S, 2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl)-1-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 78319064
tert-butyl 2-((2S,3R)-1-(((1,2,4-oxadiazol-5-yl)methyl)amino)-3-hydroxy-1-oxobutan-2-yl)-1-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 78427837
2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one
CID 90329956
tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 90329980
5-(3-Hydroxy-2-methylbutanoyl)-6-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-2,5-diazaspiro[3.4]octan-3-one
CID 90330155
N-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide
CID 90330193
2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 90330197
2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 90330231
tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
CID 90330246
tert-butyl 2-[2-[[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 118589505

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one (CID 78318211) is 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one is CC(C)C(=O)N1CCCC12CN([C@H](c1ncno1)[C@@H](C)O)C2=O.
What is the InChIKey of 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is FJWYZCKZLRIQEJ-SPJRPDJQSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-9(2)13(21)19-6-4-5-15(19)7-18(14(15)22)11(10(3)20)12-16-8-17-23-12/h8-11,20H,4-7H2,1-3H3/t10-,11+,15?/m1/s1.
What are the key properties of 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one?
2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 322.37 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 78318211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).