3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine

C9H17N3O2 — CID 62594300

IUPAC3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(COCCC)no1
InChIInChI=1S/C9H17N3O2/c1-3-5-10-9-11-8(12-14-9)7-13-6-4-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyPURNNYOYAGFWIE-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.82
Rot. Bonds7

About 3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine

3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 62594300) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID62594300
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(COCCC)no1
InChIInChI=1S/C9H17N3O2/c1-3-5-10-9-11-8(12-14-9)7-13-6-4-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyPURNNYOYAGFWIE-UHFFFAOYSA-N
XLogP1.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
CID 103476514
3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594478
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350881
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
CID 103476522
2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428076
5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
CID 66304606
N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine
CID 62336676
5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
CID 55243254
3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 65140538
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 65143451
N-methyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202433
N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79275524

Frequently Asked Questions

What is the IUPAC name of 3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine (CID 62594300) is 3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(COCCC)no1.
What is the InChIKey of 3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is PURNNYOYAGFWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-5-10-9-11-8(12-14-9)7-13-6-4-2/h3-7H2,1-2H3,(H,10,11,12).
What are the key properties of 3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 199.25 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).