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

C14H27N3O — CID 61325891

IUPAC3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
SMILESCCCCCCCc1nc(C(N)(CC)CC)no1
InChIInChI=1S/C14H27N3O/c1-4-7-8-9-10-11-12-16-13(17-18-12)14(15,5-2)6-3/h4-11,15H2,1-3H3
InChIKeyVIMXAUVZILHBIA-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.56
Rot. Bonds9

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

3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine (PubChem CID 61325891) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
PubChem CID61325891
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
SMILESCCCCCCCc1nc(C(N)(CC)CC)no1
InChIInChI=1S/C14H27N3O/c1-4-7-8-9-10-11-12-16-13(17-18-12)14(15,5-2)6-3/h4-11,15H2,1-3H3
InChIKeyVIMXAUVZILHBIA-UHFFFAOYSA-N
XLogP3.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 114753767
2-(5-pentyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 61326284
2-(5-heptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636347
3-iodo-5-octyl-1,2,4-oxadiazole
CID 112572300
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
CID 47002453
3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine
CID 63953465
2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637288
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116740959
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
2-(5-propyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
CID 43559532
1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 65428528

Frequently Asked Questions

What is the IUPAC name of 3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine?
The IUPAC name of 3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine (CID 61325891) is 3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine.
What is the SMILES notation for 3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine?
The canonical SMILES for 3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine is CCCCCCCc1nc(C(N)(CC)CC)no1.
What is the InChIKey of 3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine?
The InChIKey is VIMXAUVZILHBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-7-8-9-10-11-12-16-13(17-18-12)14(15,5-2)6-3/h4-11,15H2,1-3H3.
What are the key properties of 3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine?
3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine has a molecular weight of 253.39 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine is sourced from PubChem (CID 61325891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).