(1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H21N3O2 — CID 56743793

IUPAC(1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C16H21N3O2/c1-19(16(20)13-9-10-2-3-12(13)8-10)7-6-14-17-15(21-18-14)11-4-5-11/h2-3,10-13H,4-9H2,1H3/t10-,12+,13-/m1/s1
InChIKeyJNEGIBHNBQQOJK-KGYLQXTDSA-N
MW287.36 g/mol
LogP2.16
Rot. Bonds5

About (1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 56743793) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID56743793
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C16H21N3O2/c1-19(16(20)13-9-10-2-3-12(13)8-10)7-6-14-17-15(21-18-14)11-4-5-11/h2-3,10-13H,4-9H2,1H3/t10-,12+,13-/m1/s1
InChIKeyJNEGIBHNBQQOJK-KGYLQXTDSA-N
XLogP2.16
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 56743793) is (1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CN(CCc1noc(C2CC2)n1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is JNEGIBHNBQQOJK-KGYLQXTDSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(16(20)13-9-10-2-3-12(13)8-10)7-6-14-17-15(21-18-14)11-4-5-11/h2-3,10-13H,4-9H2,1H3/t10-,12+,13-/m1/s1.
What are the key properties of (1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 56743793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).