N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C11H15N3O2 — CID 62138338

IUPACN-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCNCCCc1nnc(-c2ccoc2C)o1
InChIInChI=1S/C11H15N3O2/c1-8-9(5-7-15-8)11-14-13-10(16-11)4-3-6-12-2/h5,7,12H,3-4,6H2,1-2H3
InChIKeyWUIPKKLSXMUQPT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds5

About N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62138338) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62138338
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCNCCCc1nnc(-c2ccoc2C)o1
InChIInChI=1S/C11H15N3O2/c1-8-9(5-7-15-8)11-14-13-10(16-11)4-3-6-12-2/h5,7,12H,3-4,6H2,1-2H3
InChIKeyWUIPKKLSXMUQPT-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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-methyl-1-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62139571
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 106689618
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136730
3-[5-(5-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 65309448
N-methyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65152298
3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60908048
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 104672324
3-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039360
2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 114771038
3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 104790857

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62138338) is N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CNCCCc1nnc(-c2ccoc2C)o1.
What is the InChIKey of N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is WUIPKKLSXMUQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-9(5-7-15-8)11-14-13-10(16-11)4-3-6-12-2/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62138338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).