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

C9H15N3O3 — CID 97297985

IUPACtert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nnco1
InChIInChI=1S/C9H15N3O3/c1-6(7-12-10-5-14-7)11-8(13)15-9(2,3)4/h5-6H,1-4H3,(H,11,13)/t6-/m0/s1
InChIKeyLUQVTKJYPIONEO-LURJTMIESA-N
MW213.24 g/mol
LogP1.66
Rot. Bonds2

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

tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 97297985) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID97297985
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nametert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nnco1
InChIInChI=1S/C9H15N3O3/c1-6(7-12-10-5-14-7)11-8(13)15-9(2,3)4/h5-6H,1-4H3,(H,11,13)/t6-/m0/s1
InChIKeyLUQVTKJYPIONEO-LURJTMIESA-N
XLogP1.66
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 97297985) is tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1nnco1.
What is the InChIKey of tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is LUQVTKJYPIONEO-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(7-12-10-5-14-7)11-8(13)15-9(2,3)4/h5-6H,1-4H3,(H,11,13)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 213.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 97297985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).