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

C10H17N3O3S — CID 663122

IUPACtert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C10H17N3O3S/c1-6(7-12-13-9(15-7)17-5)11-8(14)16-10(2,3)4/h6H,1-5H3,(H,11,14)/t6-/m0/s1
InChIKeyRCTSZVFCGIOATE-LURJTMIESA-N
MW259.33 g/mol
LogP2.38
Rot. Bonds3

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

tert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 663122) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID663122
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Nametert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C10H17N3O3S/c1-6(7-12-13-9(15-7)17-5)11-8(14)16-10(2,3)4/h6H,1-5H3,(H,11,14)/t6-/m0/s1
InChIKeyRCTSZVFCGIOATE-LURJTMIESA-N
XLogP2.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.38
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-(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 (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
(S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate
CID 665704
Tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-YL]ethyl}carbamate
CID 5389659
Tert-butyl [1-(5-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 5171539
(S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
CID 7714696

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 663122) is tert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is RCTSZVFCGIOATE-LURJTMIESA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-6(7-12-13-9(15-7)17-5)11-8(14)16-10(2,3)4/h6H,1-5H3,(H,11,14)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 259.33 g/mol, XLogP of 2.38, 3 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-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 663122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).