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

C11H19N3O3S — CID 937933

IUPACtert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCCSc1nnc(CCNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C11H19N3O3S/c1-5-18-10-14-13-8(16-10)6-7-12-9(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChIKeyOLBSHNZTWSFZHY-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.25
Rot. Bonds5

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

tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 937933) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID937933
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Nametert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCCSc1nnc(CCNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C11H19N3O3S/c1-5-18-10-14-13-8(16-10)6-7-12-9(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChIKeyOLBSHNZTWSFZHY-UHFFFAOYSA-N
XLogP2.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[5-(3-methylbut-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 663018
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
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tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 944713
tert-butyl N-[5-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate
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tert-butyl N-[5-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate
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methyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320279
ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320280
tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate
CID 134320079
tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 165033228
tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 47132283
tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 157142413
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 937933) is tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is CCSc1nnc(CCNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is OLBSHNZTWSFZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-5-18-10-14-13-8(16-10)6-7-12-9(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 273.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 937933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).