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

C11H15N3O2 — CID 104797709

IUPACN-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCNCCCc1nc(-c2occc2C)no1
InChIInChI=1S/C11H15N3O2/c1-8-5-7-15-10(8)11-13-9(16-14-11)4-3-6-12-2/h5,7,12H,3-4,6H2,1-2H3
InChIKeyFKTXRCFSEVDNLL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds5

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

N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104797709) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104797709
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCNCCCc1nc(-c2occc2C)no1
InChIInChI=1S/C11H15N3O2/c1-8-5-7-15-10(8)11-13-9(16-14-11)4-3-6-12-2/h5,7,12H,3-4,6H2,1-2H3
InChIKeyFKTXRCFSEVDNLL-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

5-(2-chloroethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797638
5-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114876515
2-[2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273817
N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62716729
1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 104797801
N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788968
3,3-dimethyl-1-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 113455522
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 63950448
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 43658638
N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 104807714

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104797709) is N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CNCCCc1nc(-c2occc2C)no1.
What is the InChIKey of N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is FKTXRCFSEVDNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-5-7-15-10(8)11-13-9(16-14-11)4-3-6-12-2/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-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-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104797709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).