1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine

C15H23N3O2 — CID 51081809

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccco1)C(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C15H23N3O2/c1-6-18(10-12-8-7-9-19-12)11(2)13-16-14(17-20-13)15(3,4)5/h7-9,11H,6,10H2,1-5H3
InChIKeyHPIXJUDDUXMSED-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.54
Rot. Bonds5

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine (PubChem CID 51081809) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine
PubChem CID51081809
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccco1)C(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C15H23N3O2/c1-6-18(10-12-8-7-9-19-12)11(2)13-16-14(17-20-13)15(3,4)5/h7-9,11H,6,10H2,1-5H3
InChIKeyHPIXJUDDUXMSED-UHFFFAOYSA-N
XLogP3.54
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine (CID 51081809) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine is CCN(Cc1ccco1)C(C)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is HPIXJUDDUXMSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-6-18(10-12-8-7-9-19-12)11(2)13-16-14(17-20-13)15(3,4)5/h7-9,11H,6,10H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 51081809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).