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

C11H19N3O3 — CID 46937141

IUPACtert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nnco1
InChIInChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyPARUDDGQWSBIIO-QMMMGPOBSA-N
MW241.29 g/mol
LogP2.29
Rot. Bonds3

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

tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate (PubChem CID 46937141) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
PubChem CID46937141
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nnco1
InChIInChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyPARUDDGQWSBIIO-QMMMGPOBSA-N
XLogP2.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-2-propanyl ((1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl)carbamate
CID 46937140
tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
CID 7472268
(S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate
CID 662268
tert-butyl N-[(1S)-1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 97297985
tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]carbamate
CID 171803179
tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
CID 139227790
Tert-butyl ((1,3,4-oxadiazol-2-yl)methyl)carbamate
CID 45091906
(R)-tert-Butyl (1-(1,3,4-oxadiazol-2-yl)ethyl)carbamate
CID 45092155
tert-butyl N-[(1S)-1-[5-[(1S)-1-aminobutyl]-1,3,4-oxadiazol-2-yl]propyl]carbamate
CID 57915571
(2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide
CID 67533451
2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide
CID 67533452
tert-butyl N-[(1R)-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
CID 68089485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate (CID 46937141) is tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnco1.
What is the InChIKey of tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate?
The InChIKey is PARUDDGQWSBIIO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate?
tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate is sourced from PubChem (CID 46937141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).