tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate

C18H32N4O3 — CID 47077840

IUPACtert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
SMILESCN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CCCCC1
InChIInChI=1S/C18H32N4O3/c1-17(2,3)24-16(23)20-18(4,5)15-19-14(25-21-15)12-22(6)13-10-8-7-9-11-13/h13H,7-12H2,1-6H3,(H,20,23)
InChIKeyWVZLOSCCLJOCHB-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.59
Rot. Bonds5

About tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate

tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate (PubChem CID 47077840) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
PubChem CID47077840
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Nametert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
SMILESCN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CCCCC1
InChIInChI=1S/C18H32N4O3/c1-17(2,3)24-16(23)20-18(4,5)15-19-14(25-21-15)12-22(6)13-10-8-7-9-11-13/h13H,7-12H2,1-6H3,(H,20,23)
InChIKeyWVZLOSCCLJOCHB-UHFFFAOYSA-N
XLogP3.59
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate (CID 47077840) is tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate is CN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CCCCC1.
What is the InChIKey of tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The InChIKey is WVZLOSCCLJOCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-17(2,3)24-16(23)20-18(4,5)15-19-14(25-21-15)12-22(6)13-10-8-7-9-11-13/h13H,7-12H2,1-6H3,(H,20,23).
What are the key properties of tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate has a molecular weight of 352.48 g/mol, XLogP of 3.59, 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-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 47077840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).