(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C13H19N3O2 — CID 99821666

IUPAC(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCc1nnc(CN[C@@H](C)c2cc(C)oc2C)o1
InChIInChI=1S/C13H19N3O2/c1-5-12-15-16-13(18-12)7-14-9(3)11-6-8(2)17-10(11)4/h6,9,14H,5,7H2,1-4H3/t9-/m0/s1
InChIKeyBFJRQYWQOFISMU-VIFPVBQESA-N
MW249.31 g/mol
LogP2.69
Rot. Bonds5

About (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 99821666) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID99821666
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCc1nnc(CN[C@@H](C)c2cc(C)oc2C)o1
InChIInChI=1S/C13H19N3O2/c1-5-12-15-16-13(18-12)7-14-9(3)11-6-8(2)17-10(11)4/h6,9,14H,5,7H2,1-4H3/t9-/m0/s1
InChIKeyBFJRQYWQOFISMU-VIFPVBQESA-N
XLogP2.69
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 99821666) is (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is CCc1nnc(CN[C@@H](C)c2cc(C)oc2C)o1.
What is the InChIKey of (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is BFJRQYWQOFISMU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O2/c1-5-12-15-16-13(18-12)7-14-9(3)11-6-8(2)17-10(11)4/h6,9,14H,5,7H2,1-4H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethylfuran-3-yl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 99821666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).