tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate

C11H20N4O3 — CID 139227790

IUPACtert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(N)o1
InChIInChI=1S/C11H20N4O3/c1-6(2)7(8-14-15-9(12)17-8)13-10(16)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)/t7-/m0/s1
InChIKeyCFUMYWDNGSVDOX-ZETCQYMHSA-N
MW256.31 g/mol
LogP1.87
Rot. Bonds3

About tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate

tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate (PubChem CID 139227790) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
PubChem CID139227790
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Nametert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(N)o1
InChIInChI=1S/C11H20N4O3/c1-6(2)7(8-14-15-9(12)17-8)13-10(16)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)/t7-/m0/s1
InChIKeyCFUMYWDNGSVDOX-ZETCQYMHSA-N
XLogP1.87
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-2-propanyl ((1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl)carbamate
CID 46937140
(S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate
CID 662268
tert-butyl N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 122243106
2-Methyl-2-propanyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
CID 46937141
tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]carbamate
CID 171803179
tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate
CID 24874411
tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate
CID 139227792
tert-butyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
CID 57463456
tert-butyl N-[(1S)-1-[5-[(1S)-1-aminobutyl]-1,3,4-oxadiazol-2-yl]propyl]carbamate
CID 57915571
tert-Butyl [(1S)-1-{5-[(aminocarbonyl)amino]-1,3,4-oxadiazol-2-yl}-2,2-dimethylpropyl]carbamate
CID 58124724
[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid
CID 66952238
[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid
CID 67532202

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate (CID 139227790) is tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(N)o1.
What is the InChIKey of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate?
The InChIKey is CFUMYWDNGSVDOX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-6(2)7(8-14-15-9(12)17-8)13-10(16)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate?
tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate has a molecular weight of 256.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 139227790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).