2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine

C13H23N3O — CID 63717824

IUPAC2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(Cc1nc(C(C)CC)no1)C1CC1
InChIInChI=1S/C13H23N3O/c1-4-9(3)13-15-12(17-16-13)8-11(14-5-2)10-6-7-10/h9-11,14H,4-8H2,1-3H3
InChIKeyMLGPATJISPDDNN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.51
Rot. Bonds7

About 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine

2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine (PubChem CID 63717824) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine
PubChem CID63717824
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(Cc1nc(C(C)CC)no1)C1CC1
InChIInChI=1S/C13H23N3O/c1-4-9(3)13-15-12(17-16-13)8-11(14-5-2)10-6-7-10/h9-11,14H,4-8H2,1-3H3
InChIKeyMLGPATJISPDDNN-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine with MolForge

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Related Compounds

1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 64535657
1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733432
1-cyclopropyl-2-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733585
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63718564
1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63892399
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 63716700
1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 106815738
N-[1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 64535658
1-cyclopropyl-N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 116809156
1-cyclopropyl-2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 107918247
N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733456
1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347362

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine?
The IUPAC name of 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine (CID 63717824) is 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine is CCNC(Cc1nc(C(C)CC)no1)C1CC1.
What is the InChIKey of 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine?
The InChIKey is MLGPATJISPDDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-9(3)13-15-12(17-16-13)8-11(14-5-2)10-6-7-10/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine?
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 63717824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).