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

C19H23N3O2 — CID 132971237

IUPAC2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1(Cc2ccccc2)CC2CCC1C2)c1ncon1
InChIInChI=1S/C19H23N3O2/c1-13(17-20-12-24-22-17)21-18(23)19(10-14-5-3-2-4-6-14)11-15-7-8-16(19)9-15/h2-6,12-13,15-16H,7-11H2,1H3,(H,21,23)
InChIKeyDAAVZKJTBOXAKB-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.30
Rot. Bonds5

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

2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 132971237) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID132971237
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1(Cc2ccccc2)CC2CCC1C2)c1ncon1
InChIInChI=1S/C19H23N3O2/c1-13(17-20-12-24-22-17)21-18(23)19(10-14-5-3-2-4-6-14)11-15-7-8-16(19)9-15/h2-6,12-13,15-16H,7-11H2,1H3,(H,21,23)
InChIKeyDAAVZKJTBOXAKB-UHFFFAOYSA-N
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 132971237) is 2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(NC(=O)C1(Cc2ccccc2)CC2CCC1C2)c1ncon1.
What is the InChIKey of 2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is DAAVZKJTBOXAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(17-20-12-24-22-17)21-18(23)19(10-14-5-3-2-4-6-14)11-15-7-8-16(19)9-15/h2-6,12-13,15-16H,7-11H2,1H3,(H,21,23).
What are the key properties of 2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 132971237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).