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

C13H23N3O3 — CID 77231283

IUPACtert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H23N3O3/c1-12(2,3)10-16-15-9(18-10)7-8-14-11(17)19-13(4,5)6/h7-8H2,1-6H3,(H,14,17)
InChIKeyLGDYCZZOCDRKAA-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.43
Rot. Bonds3

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

tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 77231283) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID77231283
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H23N3O3/c1-12(2,3)10-16-15-9(18-10)7-8-14-11(17)19-13(4,5)6/h7-8H2,1-6H3,(H,14,17)
InChIKeyLGDYCZZOCDRKAA-UHFFFAOYSA-N
XLogP2.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 937933
tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 944713
tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate
CID 91541939
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
tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 165033228
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 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 53419962
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 70853467
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 77231283) is tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nnc(C(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is LGDYCZZOCDRKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-12(2,3)10-16-15-9(18-10)7-8-14-11(17)19-13(4,5)6/h7-8H2,1-6H3,(H,14,17).
What are the key properties of tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 77231283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).