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

C13H19N3O2 — CID 51100360

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1noc(CCNC(=O)C2CC3CCC2C3)n1
InChIInChI=1S/C13H19N3O2/c1-8-15-12(18-16-8)4-5-14-13(17)11-7-9-2-3-10(11)6-9/h9-11H,2-7H2,1H3,(H,14,17)
InChIKeyUMBWARMYUABPMO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.47
Rot. Bonds4

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

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 51100360) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID51100360
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1noc(CCNC(=O)C2CC3CCC2C3)n1
InChIInChI=1S/C13H19N3O2/c1-8-15-12(18-16-8)4-5-14-13(17)11-7-9-2-3-10(11)6-9/h9-11H,2-7H2,1H3,(H,14,17)
InChIKeyUMBWARMYUABPMO-UHFFFAOYSA-N
XLogP1.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 51100360) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1noc(CCNC(=O)C2CC3CCC2C3)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UMBWARMYUABPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-15-12(18-16-8)4-5-14-13(17)11-7-9-2-3-10(11)6-9/h9-11H,2-7H2,1H3,(H,14,17).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 51100360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).