1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C11H15N3O2 — CID 107234150

IUPAC1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCCc1ccc(CNCc2noc(C)n2)o1
InChIInChI=1S/C11H15N3O2/c1-3-9-4-5-10(15-9)6-12-7-11-13-8(2)16-14-11/h4-5,12H,3,6-7H2,1-2H3
InChIKeyWNUYUSLSYFFLQS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.82
Rot. Bonds5

About 1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 107234150) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID107234150
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCCc1ccc(CNCc2noc(C)n2)o1
InChIInChI=1S/C11H15N3O2/c1-3-9-4-5-10(15-9)6-12-7-11-13-8(2)16-14-11/h4-5,12H,3,6-7H2,1-2H3
InChIKeyWNUYUSLSYFFLQS-UHFFFAOYSA-N
XLogP1.82
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106417671
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 107911776
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 107911734
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 107911446
N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 62344748
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103721585
1-(3,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078698
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103721615
2-[5-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 114182789
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 113248221
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103721557

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 107234150) is 1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is CCc1ccc(CNCc2noc(C)n2)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is WNUYUSLSYFFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-9-4-5-10(15-9)6-12-7-11-13-8(2)16-14-11/h4-5,12H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 221.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 107234150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).