N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine

C10H17N3O3 — CID 65333677

IUPACN-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(C2CCCOC2)no1
InChIInChI=1S/C10H17N3O3/c1-14-6-4-11-10-12-9(13-16-10)8-3-2-5-15-7-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyYYMTUMWXUUVTNT-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.02
Rot. Bonds5

About N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine

N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 65333677) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine
PubChem CID65333677
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(C2CCCOC2)no1
InChIInChI=1S/C10H17N3O3/c1-14-6-4-11-10-12-9(13-16-10)8-3-2-5-15-7-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyYYMTUMWXUUVTNT-UHFFFAOYSA-N
XLogP1.02
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine (CID 65333677) is N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(C2CCCOC2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is YYMTUMWXUUVTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-14-6-4-11-10-12-9(13-16-10)8-3-2-5-15-7-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine?
N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 227.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(oxan-3-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65333677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).