tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate

C18H27N5O6 — CID 118593133

IUPACtert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
SMILESCC(O)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(Cc1ncno1)C2=O
InChIInChI=1S/C18H27N5O6/c1-11(24)13(21-16(27)28-17(2,3)4)14(25)23-7-5-6-18(23)9-22(15(18)26)8-12-19-10-20-29-12/h10-11,13,24H,5-9H2,1-4H3,(H,21,27)
InChIKeyNFXNUVGFWKTXAK-UHFFFAOYSA-N
MW409.44 g/mol
LogP0.05
Rot. Bonds5

About tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate

tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 118593133) has the molecular formula C18H27N5O6 and a molecular weight of 409.44 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
PubChem CID118593133
Molecular FormulaC18H27N5O6
Molecular Weight409.44 g/mol
Exact Mass409.20
IUPAC Nametert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
SMILESCC(O)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(Cc1ncno1)C2=O
InChIInChI=1S/C18H27N5O6/c1-11(24)13(21-16(27)28-17(2,3)4)14(25)23-7-5-6-18(23)9-22(15(18)26)8-12-19-10-20-29-12/h10-11,13,24H,5-9H2,1-4H3,(H,21,27)
InChIKeyNFXNUVGFWKTXAK-UHFFFAOYSA-N
XLogP0.05
TPSA138.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate (CID 118593133) is tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate is CC(O)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(Cc1ncno1)C2=O.
What is the InChIKey of tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is NFXNUVGFWKTXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O6/c1-11(24)13(21-16(27)28-17(2,3)4)14(25)23-7-5-6-18(23)9-22(15(18)26)8-12-19-10-20-29-12/h10-11,13,24H,5-9H2,1-4H3,(H,21,27).
What are the key properties of tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 409.44 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 118593133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).