tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate

C13H23N3O5 — CID 69462751

IUPACtert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)C1N=NC(=O)O1
InChIInChI=1S/C13H23N3O5/c1-7(2)6-8(14-11(18)21-13(3,4)5)9(17)10-15-16-12(19)20-10/h7-10,17H,6H2,1-5H3,(H,14,18)/t8-,9?,10?/m0/s1
InChIKeyLCGZFBUFOQUPLI-IDKOKCKLSA-N
MW301.34 g/mol
LogP2.22
Rot. Bonds5

About tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate (PubChem CID 69462751) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate
PubChem CID69462751
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)C1N=NC(=O)O1
InChIInChI=1S/C13H23N3O5/c1-7(2)6-8(14-11(18)21-13(3,4)5)9(17)10-15-16-12(19)20-10/h7-10,17H,6H2,1-5H3,(H,14,18)/t8-,9?,10?/m0/s1
InChIKeyLCGZFBUFOQUPLI-IDKOKCKLSA-N
XLogP2.22
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,2S)-1-hydroxy-4-methyl-1-[(3R)-2-oxooxolan-3-yl]pentan-2-yl]carbamate
CID 11162414
tert-butyl N-[(2R,3S)-1-amino-2-hydroxy-5-methylhexan-3-yl]carbamate
CID 57207813
tert-butyl N-(1-chloro-2-hydroxy-5-methylhexan-3-yl)carbamate
CID 14180814
(3R,4R)-3-hydroxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 12759308
tert-butyl N-[(4S,5S,6S)-5-hydroxy-2,6-dimethyl-7-oxooctan-4-yl]carbamate
CID 102155715
4-hydroxy-2,7-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25069046
tert-butyl N-[(3R,4S)-3-hydroxy-2-methyl-6-methylhept-1-en-4-yl]carbamate
CID 153432718
tert-butyl N-[(4S,5S)-5-hydroxy-2-methylnonan-4-yl]carbamate
CID 91698916
tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 22843594
tert-butyl N-[(4S,5S)-8,8,8-trichloro-5-hydroxy-2-methyloctan-4-yl]carbamate
CID 10872166
(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 88701729
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate (CID 69462751) is tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)C1N=NC(=O)O1.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate?
The InChIKey is LCGZFBUFOQUPLI-IDKOKCKLSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-7(2)6-8(14-11(18)21-13(3,4)5)9(17)10-15-16-12(19)20-10/h7-10,17H,6H2,1-5H3,(H,14,18)/t8-,9?,10?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate has a molecular weight of 301.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-4-methyl-1-(5-oxo-2H-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 69462751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).