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

C10H18N2O — CID 66197833

IUPAC4-ethyl-5-pentyl-1,2-oxazol-3-amine
SMILESCCCCCc1onc(N)c1CC
InChIInChI=1S/C10H18N2O/c1-3-5-6-7-9-8(4-2)10(11)12-13-9/h3-7H2,1-2H3,(H2,11,12)
InChIKeyBPOQRYPOTKJHFG-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.55
Rot. Bonds5

About 4-ethyl-5-pentyl-1,2-oxazol-3-amine

4-ethyl-5-pentyl-1,2-oxazol-3-amine (PubChem CID 66197833) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-ethyl-5-pentyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-pentyl-1,2-oxazol-3-amine
PubChem CID66197833
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-ethyl-5-pentyl-1,2-oxazol-3-amine
SMILESCCCCCc1onc(N)c1CC
InChIInChI=1S/C10H18N2O/c1-3-5-6-7-9-8(4-2)10(11)12-13-9/h3-7H2,1-2H3,(H2,11,12)
InChIKeyBPOQRYPOTKJHFG-UHFFFAOYSA-N
XLogP2.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.55
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 4-ethyl-5-pentyl-1,2-oxazol-3-amine?
The IUPAC name of 4-ethyl-5-pentyl-1,2-oxazol-3-amine (CID 66197833) is 4-ethyl-5-pentyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-ethyl-5-pentyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-ethyl-5-pentyl-1,2-oxazol-3-amine is CCCCCc1onc(N)c1CC.
What is the InChIKey of 4-ethyl-5-pentyl-1,2-oxazol-3-amine?
The InChIKey is BPOQRYPOTKJHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-6-7-9-8(4-2)10(11)12-13-9/h3-7H2,1-2H3,(H2,11,12).
What are the key properties of 4-ethyl-5-pentyl-1,2-oxazol-3-amine?
4-ethyl-5-pentyl-1,2-oxazol-3-amine has a molecular weight of 182.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-pentyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66197833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).