3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine

C13H21N3O — CID 79405619

IUPAC3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCCCCc1noc(C2C3CCC(C3)C2N)n1
InChIInChI=1S/C13H21N3O/c1-2-3-4-10-15-13(17-16-10)11-8-5-6-9(7-8)12(11)14/h8-9,11-12H,2-7,14H2,1H3
InChIKeyCWIYKRBVIUDPAV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.25
Rot. Bonds4

About 3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine

3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 79405619) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine
PubChem CID79405619
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCCCCc1noc(C2C3CCC(C3)C2N)n1
InChIInChI=1S/C13H21N3O/c1-2-3-4-10-15-13(17-16-10)11-8-5-6-9(7-8)12(11)14/h8-9,11-12H,2-7,14H2,1H3
InChIKeyCWIYKRBVIUDPAV-UHFFFAOYSA-N
XLogP2.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 64376778
3-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 79954569
3-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 82007705
3-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 103146091
3-[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 103146378
3-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 103472408
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51100360
N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 55065238
2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 55065282
1-[5-(2-Bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 55101607
3-[5-(2-Bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102174
2-[5-(2-Bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102389

Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine (CID 79405619) is 3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine is CCCCc1noc(C2C3CCC(C3)C2N)n1.
What is the InChIKey of 3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is CWIYKRBVIUDPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-4-10-15-13(17-16-10)11-8-5-6-9(7-8)12(11)14/h8-9,11-12H,2-7,14H2,1H3.
What are the key properties of 3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine?
3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 79405619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).