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

C12H22N4O3 — CID 106391476

IUPACtert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate
SMILESCc1nc(CNC(C)CNC(=O)OC(C)(C)C)no1
InChIInChI=1S/C12H22N4O3/c1-8(6-14-11(17)18-12(3,4)5)13-7-10-15-9(2)19-16-10/h8,13H,6-7H2,1-5H3,(H,14,17)
InChIKeyZVKWQLKUWZNLRQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.38
Rot. Bonds5

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

tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate (PubChem CID 106391476) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate
PubChem CID106391476
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Nametert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate
SMILESCc1nc(CNC(C)CNC(=O)OC(C)(C)C)no1
InChIInChI=1S/C12H22N4O3/c1-8(6-14-11(17)18-12(3,4)5)13-7-10-15-9(2)19-16-10/h8,13H,6-7H2,1-5H3,(H,14,17)
InChIKeyZVKWQLKUWZNLRQ-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate
CID 103389676
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CID 167047360
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
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tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
CID 103389782
tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate
CID 107248074
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 103389967

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate (CID 106391476) is tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate is Cc1nc(CNC(C)CNC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate?
The InChIKey is ZVKWQLKUWZNLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-8(6-14-11(17)18-12(3,4)5)13-7-10-15-9(2)19-16-10/h8,13H,6-7H2,1-5H3,(H,14,17).
What are the key properties of tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate?
tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 1.38, 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-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate is sourced from PubChem (CID 106391476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).