N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C12H17N3O2 — CID 65152396

IUPACN-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(-c2c(C)oc(C)c2C)o1
InChIInChI=1S/C12H17N3O2/c1-6-8(3)16-9(4)10(6)12-15-14-11(17-12)7(2)13-5/h7,13H,1-5H3
InChIKeyWLCPQHKUMBSZMZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.54
Rot. Bonds3

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

N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 65152396) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID65152396
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(-c2c(C)oc(C)c2C)o1
InChIInChI=1S/C12H17N3O2/c1-6-8(3)16-9(4)10(6)12-15-14-11(17-12)7(2)13-5/h7,13H,1-5H3
InChIKeyWLCPQHKUMBSZMZ-UHFFFAOYSA-N
XLogP2.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026384
N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181435
1-[5-(2,4-difluoro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113396555
1-[5-(2-bromo-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 81117716
N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65215976
N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 63022883
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 80642159
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163737
N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162688
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164952
1-[5-(2-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 107993085

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 65152396) is N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CNC(C)c1nnc(-c2c(C)oc(C)c2C)o1.
What is the InChIKey of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is WLCPQHKUMBSZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-6-8(3)16-9(4)10(6)12-15-14-11(17-12)7(2)13-5/h7,13H,1-5H3.
What are the key properties of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 235.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 65152396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).