N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine

C8H15N3O2 — CID 116730899

IUPACN-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(C(CC)OC)no1
InChIInChI=1S/C8H15N3O2/c1-4-6(12-3)7-10-8(9-5-2)13-11-7/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyMBEGXWLXAUWLSS-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.60
Rot. Bonds5

About N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine

N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 116730899) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine
PubChem CID116730899
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(C(CC)OC)no1
InChIInChI=1S/C8H15N3O2/c1-4-6(12-3)7-10-8(9-5-2)13-11-7/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyMBEGXWLXAUWLSS-UHFFFAOYSA-N
XLogP1.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine (CID 116730899) is N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine is CCNc1nc(C(CC)OC)no1.
What is the InChIKey of N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is MBEGXWLXAUWLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-6(12-3)7-10-8(9-5-2)13-11-7/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine?
N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 185.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116730899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).