3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C11H20N4O3 — CID 125446533

IUPAC3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOC(C)(C)C[C@H](C)NCc1noc(C(N)=O)n1
InChIInChI=1S/C11H20N4O3/c1-7(5-11(2,3)17-4)13-6-8-14-10(9(12)16)18-15-8/h7,13H,5-6H2,1-4H3,(H2,12,16)/t7-/m0/s1
InChIKeyUOVDMGUBNDFBNW-ZETCQYMHSA-N
MW256.31 g/mol
LogP0.46
Rot. Bonds7

About 3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 125446533) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID125446533
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOC(C)(C)C[C@H](C)NCc1noc(C(N)=O)n1
InChIInChI=1S/C11H20N4O3/c1-7(5-11(2,3)17-4)13-6-8-14-10(9(12)16)18-15-8/h7,13H,5-6H2,1-4H3,(H2,12,16)/t7-/m0/s1
InChIKeyUOVDMGUBNDFBNW-ZETCQYMHSA-N
XLogP0.46
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 125446533) is 3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is COC(C)(C)C[C@H](C)NCc1noc(C(N)=O)n1.
What is the InChIKey of 3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is UOVDMGUBNDFBNW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-7(5-11(2,3)17-4)13-6-8-14-10(9(12)16)18-15-8/h7,13H,5-6H2,1-4H3,(H2,12,16)/t7-/m0/s1.
What are the key properties of 3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 125446533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).