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

C11H18N4O4S — CID 663039

IUPACtert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(N)=O)o1
InChIInChI=1S/C11H18N4O4S/c1-6(13-9(17)19-11(2,3)4)8-14-15-10(18-8)20-5-7(12)16/h6H,5H2,1-4H3,(H2,12,16)(H,13,17)/t6-/m0/s1
InChIKeyIOIPESYCISLLGT-LURJTMIESA-N
MW302.36 g/mol
LogP1.23
Rot. Bonds5

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

tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate (PubChem CID 663039) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
PubChem CID663039
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Nametert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(N)=O)o1
InChIInChI=1S/C11H18N4O4S/c1-6(13-9(17)19-11(2,3)4)8-14-15-10(18-8)20-5-7(12)16/h6H,5H2,1-4H3,(H2,12,16)(H,13,17)/t6-/m0/s1
InChIKeyIOIPESYCISLLGT-LURJTMIESA-N
XLogP1.23
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate with MolForge

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Related Compounds

(S)-tert-butyl (1-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
CID 664945
(S)-tert-butyl (1-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
CID 662458
tert-butyl N-[(1S)-1-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
CID 665262
(S)-tert-butyl (1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
CID 5389669
tert-butyl N-[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 5389697
tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
CID 7472268
(S)-tert-butyl (1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
CID 663122
ethyl 2-[[5-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 665697
(S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate
CID 662268
(S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
CID 662556
(S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
CID 665342
tert-butyl N-[(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
CID 665383

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate (CID 663039) is tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(N)=O)o1.
What is the InChIKey of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The InChIKey is IOIPESYCISLLGT-LURJTMIESA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-6(13-9(17)19-11(2,3)4)8-14-15-10(18-8)20-5-7(12)16/h6H,5H2,1-4H3,(H2,12,16)(H,13,17)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate has a molecular weight of 302.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 663039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).