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

C12H22N4O3 — CID 139227792

IUPACtert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(N)o1
InChIInChI=1S/C12H22N4O3/c1-7(2)6-8(9-15-16-10(13)18-9)14-11(17)19-12(3,4)5/h7-8H,6H2,1-5H3,(H2,13,16)(H,14,17)/t8-/m0/s1
InChIKeyWDEQHHWIELFGGR-QMMMGPOBSA-N
MW270.33 g/mol
LogP2.26
Rot. Bonds4

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

tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate (PubChem CID 139227792) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate
PubChem CID139227792
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Nametert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(N)o1
InChIInChI=1S/C12H22N4O3/c1-7(2)6-8(9-15-16-10(13)18-9)14-11(17)19-12(3,4)5/h7-8H,6H2,1-5H3,(H2,13,16)(H,14,17)/t8-/m0/s1
InChIKeyWDEQHHWIELFGGR-QMMMGPOBSA-N
XLogP2.26
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate (CID 139227792) is tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate is CC(C)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)-3-methylbutyl]carbamate?
The InChIKey is WDEQHHWIELFGGR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-7(2)6-8(9-15-16-10(13)18-9)14-11(17)19-12(3,4)5/h7-8H,6H2,1-5H3,(H2,13,16)(H,14,17)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate?
tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 2.26, 4 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)-3-methylbutyl]carbamate is sourced from PubChem (CID 139227792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).