2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine

C13H25N3O2 — CID 104636347

IUPAC2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
SMILESCCCCCCCc1nc(C(C)(N)COC)no1
InChIInChI=1S/C13H25N3O2/c1-4-5-6-7-8-9-11-15-12(16-18-11)13(2,14)10-17-3/h4-10,14H2,1-3H3
InChIKeyNAYMLBYPRCPBJP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.40
Rot. Bonds9

About 2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine

2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine (PubChem CID 104636347) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
PubChem CID104636347
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
SMILESCCCCCCCc1nc(C(C)(N)COC)no1
InChIInChI=1S/C13H25N3O2/c1-4-5-6-7-8-9-11-15-12(16-18-11)13(2,14)10-17-3/h4-10,14H2,1-3H3
InChIKeyNAYMLBYPRCPBJP-UHFFFAOYSA-N
XLogP2.40
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.40
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

2-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 114212439
2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 114753767
2-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636396
2-(5-pentyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 61326284
2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637288
3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
CID 61325891
1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107940748
1-methoxy-2-[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636505
2-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 103166275
2-(5-propyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
CID 43559532
2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636424
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
CID 47002453

Frequently Asked Questions

What is the IUPAC name of 2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
The IUPAC name of 2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine (CID 104636347) is 2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine.
What is the SMILES notation for 2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
The canonical SMILES for 2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine is CCCCCCCc1nc(C(C)(N)COC)no1.
What is the InChIKey of 2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
The InChIKey is NAYMLBYPRCPBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-5-6-7-8-9-11-15-12(16-18-11)13(2,14)10-17-3/h4-10,14H2,1-3H3.
What are the key properties of 2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine is sourced from PubChem (CID 104636347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).