N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine

C12H16N4O2 — CID 66184076

IUPACN-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
SMILESCCN(Cc1nc(-c2ccco2)no1)C1CNC1
InChIInChI=1S/C12H16N4O2/c1-2-16(9-6-13-7-9)8-11-14-12(15-18-11)10-4-3-5-17-10/h3-5,9,13H,2,6-8H2,1H3
InChIKeyODMCXGCUOOGLIH-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.12
Rot. Bonds5

About N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine

N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine (PubChem CID 66184076) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
PubChem CID66184076
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
SMILESCCN(Cc1nc(-c2ccco2)no1)C1CNC1
InChIInChI=1S/C12H16N4O2/c1-2-16(9-6-13-7-9)8-11-14-12(15-18-11)10-4-3-5-17-10/h3-5,9,13H,2,6-8H2,1H3
InChIKeyODMCXGCUOOGLIH-UHFFFAOYSA-N
XLogP1.12
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylazetidin-3-amine
CID 66181534
N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66183896
2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 62014677
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine
CID 50954177
2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
CID 62822562
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
CID 66207662
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine
CID 66186647
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 134019576
2-[2,2-difluoroethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 107485412
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112532
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine?
The IUPAC name of N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine (CID 66184076) is N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine?
The canonical SMILES for N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine is CCN(Cc1nc(-c2ccco2)no1)C1CNC1.
What is the InChIKey of N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine?
The InChIKey is ODMCXGCUOOGLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-16(9-6-13-7-9)8-11-14-12(15-18-11)10-4-3-5-17-10/h3-5,9,13H,2,6-8H2,1H3.
What are the key properties of N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine?
N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine has a molecular weight of 248.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine is sourced from PubChem (CID 66184076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).