1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine

C14H25N3O — CID 64985590

IUPAC1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1nc(C2CCC2)no1)C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-5-15-11(14(2,3)4)9-12-16-13(17-18-12)10-7-6-8-10/h10-11,15H,5-9H2,1-4H3
InChIKeyVDVUTOYRGUYZBZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds5

About 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine

1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 64985590) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID64985590
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1nc(C2CCC2)no1)C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-5-15-11(14(2,3)4)9-12-16-13(17-18-12)10-7-6-8-10/h10-11,15H,5-9H2,1-4H3
InChIKeyVDVUTOYRGUYZBZ-UHFFFAOYSA-N
XLogP2.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine (CID 64985590) is 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(Cc1nc(C2CCC2)no1)C(C)(C)C.
What is the InChIKey of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is VDVUTOYRGUYZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-15-11(14(2,3)4)9-12-16-13(17-18-12)10-7-6-8-10/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine?
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64985590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).