3-pentyl-1,2,4-oxadiazol-5-amine

C7H13N3O — CID 139520354

IUPAC3-pentyl-1,2,4-oxadiazol-5-amine
SMILESCCCCCc1noc(N)n1
InChIInChI=1S/C7H13N3O/c1-2-3-4-5-6-9-7(8)11-10-6/h2-5H2,1H3,(H2,8,9,10)
InChIKeyYJOBHEFCDXBSQN-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.38
Rot. Bonds4

About 3-pentyl-1,2,4-oxadiazol-5-amine

3-pentyl-1,2,4-oxadiazol-5-amine (PubChem CID 139520354) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-pentyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-pentyl-1,2,4-oxadiazol-5-amine
PubChem CID139520354
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-pentyl-1,2,4-oxadiazol-5-amine
SMILESCCCCCc1noc(N)n1
InChIInChI=1S/C7H13N3O/c1-2-3-4-5-6-9-7(8)11-10-6/h2-5H2,1H3,(H2,8,9,10)
InChIKeyYJOBHEFCDXBSQN-UHFFFAOYSA-N
XLogP1.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.38
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

3-undecyl-1,2,4-oxadiazol-5-amine
CID 10900725
3-[12-(5-amino-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazol-5-amine
CID 71378288
ethane;3-propyl-1,2,4-oxadiazol-5-amine
CID 153346311
3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 115079637
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
5-ethenyl-3-octyl-1,2,4-oxadiazole
CID 156799943
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2-(3-pentyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 70237676
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
3-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazol-5-amine
CID 131052628

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-pentyl-1,2,4-oxadiazol-5-amine (CID 139520354) is 3-pentyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-pentyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-pentyl-1,2,4-oxadiazol-5-amine is CCCCCc1noc(N)n1.
What is the InChIKey of 3-pentyl-1,2,4-oxadiazol-5-amine?
The InChIKey is YJOBHEFCDXBSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-3-4-5-6-9-7(8)11-10-6/h2-5H2,1H3,(H2,8,9,10).
What are the key properties of 3-pentyl-1,2,4-oxadiazol-5-amine?
3-pentyl-1,2,4-oxadiazol-5-amine has a molecular weight of 155.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 139520354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).