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

C10H19N3O3 — CID 107940748

IUPAC1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCCOCc1nc(C(C)(N)COC)no1
InChIInChI=1S/C10H19N3O3/c1-4-5-15-6-8-12-9(13-16-8)10(2,11)7-14-3/h4-7,11H2,1-3H3
InChIKeyWJFCPWYOITYSMX-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.82
Rot. Bonds7

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

1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 107940748) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID107940748
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCCOCc1nc(C(C)(N)COC)no1
InChIInChI=1S/C10H19N3O3/c1-4-5-15-6-8-12-9(13-16-8)10(2,11)7-14-3/h4-7,11H2,1-3H3
InChIKeyWJFCPWYOITYSMX-UHFFFAOYSA-N
XLogP0.82
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.82
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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Related Compounds

1-propoxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211847
2-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636396
2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637023
2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636347
2-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 114212439
1-methoxy-2-[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636505
2-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637046
2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 114458872
2-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 103166275
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 112587704
2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637074

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 107940748) is 1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCCOCc1nc(C(C)(N)COC)no1.
What is the InChIKey of 1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is WJFCPWYOITYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-4-5-15-6-8-12-9(13-16-8)10(2,11)7-14-3/h4-7,11H2,1-3H3.
What are the key properties of 1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 229.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 107940748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).