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

C10H19N3O2 — CID 62852618

IUPACN-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(CCOC)no1
InChIInChI=1S/C10H19N3O2/c1-4-11-7-8(2)10-12-9(13-15-10)5-6-14-3/h8,11H,4-7H2,1-3H3
InChIKeyXYOPTYNEORWAAY-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.97
Rot. Bonds7

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

N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 62852618) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID62852618
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(CCOC)no1
InChIInChI=1S/C10H19N3O2/c1-4-11-7-8(2)10-12-9(13-15-10)5-6-14-3/h8,11H,4-7H2,1-3H3
InChIKeyXYOPTYNEORWAAY-UHFFFAOYSA-N
XLogP0.97
TPSA60.18 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 62852618) is N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCNCC(C)c1nc(CCOC)no1.
What is the InChIKey of N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is XYOPTYNEORWAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-11-7-8(2)10-12-9(13-15-10)5-6-14-3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 62852618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).