3-pentyl-1,2-oxazol-5-amine

C8H14N2O — CID 28980024

IUPAC3-pentyl-1,2-oxazol-5-amine
SMILESCCCCCc1cc(N)on1
InChIInChI=1S/C8H14N2O/c1-2-3-4-5-7-6-8(9)11-10-7/h6H,2-5,9H2,1H3
InChIKeySWUFZCKNJXQAAH-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.99
Rot. Bonds4

About 3-pentyl-1,2-oxazol-5-amine

3-pentyl-1,2-oxazol-5-amine (PubChem CID 28980024) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-pentyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-pentyl-1,2-oxazol-5-amine
PubChem CID28980024
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-pentyl-1,2-oxazol-5-amine
SMILESCCCCCc1cc(N)on1
InChIInChI=1S/C8H14N2O/c1-2-3-4-5-7-6-8(9)11-10-7/h6H,2-5,9H2,1H3
InChIKeySWUFZCKNJXQAAH-UHFFFAOYSA-N
XLogP1.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1,2-oxazol-5-amine?
The IUPAC name of 3-pentyl-1,2-oxazol-5-amine (CID 28980024) is 3-pentyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-pentyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-pentyl-1,2-oxazol-5-amine is CCCCCc1cc(N)on1.
What is the InChIKey of 3-pentyl-1,2-oxazol-5-amine?
The InChIKey is SWUFZCKNJXQAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-4-5-7-6-8(9)11-10-7/h6H,2-5,9H2,1H3.
What are the key properties of 3-pentyl-1,2-oxazol-5-amine?
3-pentyl-1,2-oxazol-5-amine has a molecular weight of 154.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1,2-oxazol-5-amine is sourced from PubChem (CID 28980024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).