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

C12H22N4O3 — CID 91347120

IUPACtert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCC(C)Nc1nc(CCNC(=O)OC(C)(C)C)no1
InChIInChI=1S/C12H22N4O3/c1-8(2)14-10-15-9(16-19-10)6-7-13-11(17)18-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,17)(H,14,15,16)
InChIKeyJDOOLFXRXGJQOQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.96
Rot. Bonds5

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

tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate (PubChem CID 91347120) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
PubChem CID91347120
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Nametert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCC(C)Nc1nc(CCNC(=O)OC(C)(C)C)no1
InChIInChI=1S/C12H22N4O3/c1-8(2)14-10-15-9(16-19-10)6-7-13-11(17)18-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,17)(H,14,15,16)
InChIKeyJDOOLFXRXGJQOQ-UHFFFAOYSA-N
XLogP1.96
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate (CID 91347120) is tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate is CC(C)Nc1nc(CCNC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The InChIKey is JDOOLFXRXGJQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-8(2)14-10-15-9(16-19-10)6-7-13-11(17)18-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,17)(H,14,15,16).
What are the key properties of tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 91347120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).