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

C11H19N3O3S — CID 5389659

IUPACtert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C11H19N3O3S/c1-6-18-10-14-13-8(16-10)7(2)12-9(15)17-11(3,4)5/h7H,6H2,1-5H3,(H,12,15)/t7-/m0/s1
InChIKeyMHIFYFKOTBCSGQ-ZETCQYMHSA-N
MW273.36 g/mol
LogP2.77
Rot. Bonds4

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

tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 5389659) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID5389659
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Nametert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C11H19N3O3S/c1-6-18-10-14-13-8(16-10)7(2)12-9(15)17-11(3,4)5/h7H,6H2,1-5H3,(H,12,15)/t7-/m0/s1
InChIKeyMHIFYFKOTBCSGQ-ZETCQYMHSA-N
XLogP2.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
CID 663039
(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-(butylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutyl)carbamate
CID 662751

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 5389659) is tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is CCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is MHIFYFKOTBCSGQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-6-18-10-14-13-8(16-10)7(2)12-9(15)17-11(3,4)5/h7H,6H2,1-5H3,(H,12,15)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 273.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 5389659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).