3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C10H19N3O2 — CID 116702101

IUPAC3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCOC(CC)c1noc(CCCN)n1
InChIInChI=1S/C10H19N3O2/c1-3-8(14-4-2)10-12-9(15-13-10)6-5-7-11/h8H,3-7,11H2,1-2H3
InChIKeyUGBBHFKBKLPGDC-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.45
Rot. Bonds7

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

3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 116702101) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID116702101
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCOC(CC)c1noc(CCCN)n1
InChIInChI=1S/C10H19N3O2/c1-3-8(14-4-2)10-12-9(15-13-10)6-5-7-11/h8H,3-7,11H2,1-2H3
InChIKeyUGBBHFKBKLPGDC-UHFFFAOYSA-N
XLogP1.45
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 64540032
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116732531
N-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116702156
3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116704096
1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116733127
5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
CID 116701630
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79616272
2-[[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116702297
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106526944
2-[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116702123
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200735

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 116702101) is 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCOC(CC)c1noc(CCCN)n1.
What is the InChIKey of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is UGBBHFKBKLPGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-8(14-4-2)10-12-9(15-13-10)6-5-7-11/h8H,3-7,11H2,1-2H3.
What are the key properties of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 116702101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).