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

C11H15N3O2 — CID 115081497

IUPACN-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1nc(-c2ccc(C)o2)no1
InChIInChI=1S/C11H15N3O2/c1-7(12-3)6-10-13-11(14-16-10)9-5-4-8(2)15-9/h4-5,7,12H,6H2,1-3H3
InChIKeyFUMFEXATPOSDIZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds4

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

N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 115081497) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID115081497
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1nc(-c2ccc(C)o2)no1
InChIInChI=1S/C11H15N3O2/c1-7(12-3)6-10-13-11(14-16-10)9-5-4-8(2)15-9/h4-5,7,12H,6H2,1-3H3
InChIKeyFUMFEXATPOSDIZ-UHFFFAOYSA-N
XLogP1.79
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

N-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347445
N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine
CID 116799810
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 114015509
N-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348232
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 107924502
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 63350389
1-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79753728
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79780767
1-[3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 63352077
N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347349
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 115081497) is N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CNC(C)Cc1nc(-c2ccc(C)o2)no1.
What is the InChIKey of N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is FUMFEXATPOSDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(12-3)6-10-13-11(14-16-10)9-5-4-8(2)15-9/h4-5,7,12H,6H2,1-3H3.
What are the key properties of N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 221.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115081497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).