(1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C14H23N3O2 — CID 129422026

IUPAC(1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCc1nc(CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)no1
InChIInChI=1S/C14H23N3O2/c1-5-11-15-10(16-19-11)8-17(4)12-9-6-7-18-13(9)14(12,2)3/h9,12-13H,5-8H2,1-4H3/t9-,12-,13-/m1/s1
InChIKeyGCSLMGCGKMZQEL-OASPWFOLSA-N
MW265.36 g/mol
LogP1.88
Rot. Bonds4

About (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

(1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 129422026) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID129422026
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCc1nc(CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)no1
InChIInChI=1S/C14H23N3O2/c1-5-11-15-10(16-19-11)8-17(4)12-9-6-7-18-13(9)14(12,2)3/h9,12-13H,5-8H2,1-4H3/t9-,12-,13-/m1/s1
InChIKeyGCSLMGCGKMZQEL-OASPWFOLSA-N
XLogP1.88
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 129422026) is (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CCc1nc(CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)no1.
What is the InChIKey of (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is GCSLMGCGKMZQEL-OASPWFOLSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-11-15-10(16-19-11)8-17(4)12-9-6-7-18-13(9)14(12,2)3/h9,12-13H,5-8H2,1-4H3/t9-,12-,13-/m1/s1.
What are the key properties of (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
(1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 265.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 129422026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).