3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine

C14H19N3O2 — CID 116778251

IUPAC3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(C(OCC)c2ccccc2)no1
InChIInChI=1S/C14H19N3O2/c1-3-10-15-14-16-13(17-19-14)12(18-4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,16,17)
InChIKeyRPUADBMTRFPPLP-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.02
Rot. Bonds7

About 3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine

3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 116778251) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID116778251
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(C(OCC)c2ccccc2)no1
InChIInChI=1S/C14H19N3O2/c1-3-10-15-14-16-13(17-19-14)12(18-4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,16,17)
InChIKeyRPUADBMTRFPPLP-UHFFFAOYSA-N
XLogP3.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743875
2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116743922
(1S)-3-amino-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837365
N-[1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116781498
cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323631
[1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 116743869
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 116780574
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 65143451
2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776116

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine (CID 116778251) is 3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(C(OCC)c2ccccc2)no1.
What is the InChIKey of 3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is RPUADBMTRFPPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-10-15-14-16-13(17-19-14)12(18-4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine?
3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 261.32 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116778251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).