3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C13H20N4O2 — CID 106415936

IUPAC3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nc(CCNC(=O)C2C3CCC(C3)C2N)no1
InChIInChI=1S/C13H20N4O2/c1-7-16-10(17-19-7)4-5-15-13(18)11-8-2-3-9(6-8)12(11)14/h8-9,11-12H,2-6,14H2,1H3,(H,15,18)
InChIKeyFOEOOROTWFXGOZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.41
Rot. Bonds4

About 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 106415936) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID106415936
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nc(CCNC(=O)C2C3CCC(C3)C2N)no1
InChIInChI=1S/C13H20N4O2/c1-7-16-10(17-19-7)4-5-15-13(18)11-8-2-3-9(6-8)12(11)14/h8-9,11-12H,2-6,14H2,1H3,(H,15,18)
InChIKeyFOEOOROTWFXGOZ-UHFFFAOYSA-N
XLogP0.41
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 106415936) is 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1nc(CCNC(=O)C2C3CCC(C3)C2N)no1.
What is the InChIKey of 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FOEOOROTWFXGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-7-16-10(17-19-7)4-5-15-13(18)11-8-2-3-9(6-8)12(11)14/h8-9,11-12H,2-6,14H2,1H3,(H,15,18).
What are the key properties of 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 106415936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).