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

C17H25N5O5 — CID 90330193

IUPACN-[(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
SMILESCC(C)C(=O)N1CCCC12CN(CC(=O)N[C@H](c1ncno1)[C@@H](C)O)C2=O
InChIInChI=1S/C17H25N5O5/c1-10(2)15(25)22-6-4-5-17(22)8-21(16(17)26)7-12(24)20-13(11(3)23)14-18-9-19-27-14/h9-11,13,23H,4-8H2,1-3H3,(H,20,24)/t11-,13+,17?/m1/s1
InChIKeyXGJZVHYQPBKLIR-HWURVSIFSA-N
MW379.42 g/mol
LogP-0.53
Rot. Bonds6

About 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

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 (PubChem CID 90330193) has the molecular formula C17H25N5O5 and a molecular weight of 379.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID90330193
Molecular FormulaC17H25N5O5
Molecular Weight379.42 g/mol
Exact Mass379.19
IUPAC NameN-[(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
SMILESCC(C)C(=O)N1CCCC12CN(CC(=O)N[C@H](c1ncno1)[C@@H](C)O)C2=O
InChIInChI=1S/C17H25N5O5/c1-10(2)15(25)22-6-4-5-17(22)8-21(16(17)26)7-12(24)20-13(11(3)23)14-18-9-19-27-14/h9-11,13,23H,4-8H2,1-3H3,(H,20,24)/t11-,13+,17?/m1/s1
InChIKeyXGJZVHYQPBKLIR-HWURVSIFSA-N
XLogP-0.53
TPSA128.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)N1CCCC12CN(CC(=O)N[C@H](c1ncno1)[C@@H](C)O)C2=O.
What is the InChIKey of 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?
The InChIKey is XGJZVHYQPBKLIR-HWURVSIFSA-N. The full InChI is InChI=1S/C17H25N5O5/c1-10(2)15(25)22-6-4-5-17(22)8-21(16(17)26)7-12(24)20-13(11(3)23)14-18-9-19-27-14/h9-11,13,23H,4-8H2,1-3H3,(H,20,24)/t11-,13+,17?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 379.42 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90330193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).