N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine

C9H11N3O2 — CID 106396669

IUPACN-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESc1coc(CNCCc2ncon2)c1
InChIInChI=1S/C9H11N3O2/c1-2-8(13-5-1)6-10-4-3-9-11-7-14-12-9/h1-2,5,7,10H,3-4,6H2
InChIKeyYCZNPWZZASDTEQ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.99
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine

N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106396669) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106396669
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESc1coc(CNCCc2ncon2)c1
InChIInChI=1S/C9H11N3O2/c1-2-8(13-5-1)6-10-4-3-9-11-7-14-12-9/h1-2,5,7,10H,3-4,6H2
InChIKeyYCZNPWZZASDTEQ-UHFFFAOYSA-N
XLogP0.99
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183475
N-[(6-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400795
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
2-(1,2,4-oxadiazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 106395418
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]benzoic acid
CID 106402027
N-[(2,5-dimethylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183364
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395442
N-[(2-nitrophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183485
N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395947
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639
2-(1,2,4-oxadiazol-3-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106396039

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106396669) is N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine is c1coc(CNCCc2ncon2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is YCZNPWZZASDTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-8(13-5-1)6-10-4-3-9-11-7-14-12-9/h1-2,5,7,10H,3-4,6H2.
What are the key properties of N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 193.21 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106396669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).