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

C12H21N3O5S — CID 944713

IUPACtert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCC(C)S(=O)(=O)c1nnc(CCNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C12H21N3O5S/c1-8(2)21(17,18)11-15-14-9(19-11)6-7-13-10(16)20-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyFJXPDCCUHUAUFA-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.32
Rot. Bonds5

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

tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 944713) has the molecular formula C12H21N3O5S and a molecular weight of 319.38 g/mol. Its IUPAC name is tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID944713
Molecular FormulaC12H21N3O5S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC Nametert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCC(C)S(=O)(=O)c1nnc(CCNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C12H21N3O5S/c1-8(2)21(17,18)11-15-14-9(19-11)6-7-13-10(16)20-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyFJXPDCCUHUAUFA-UHFFFAOYSA-N
XLogP1.32
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283
tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 937933
tert-butyl N-[5-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate
CID 2032913
methyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320279
tert-butyl N-[2-[5-(3-methylbut-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 663018
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-propan-2-yltriazole-4-carboxylic acid
CID 103117286
tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 165033228
tert-butyl N-[5-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate
CID 3375020
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069
ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320280
tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 157142413
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 944713) is tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is CC(C)S(=O)(=O)c1nnc(CCNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is FJXPDCCUHUAUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5S/c1-8(2)21(17,18)11-15-14-9(19-11)6-7-13-10(16)20-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16).
What are the key properties of tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 319.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 944713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).