4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine

C15H19FN2O — CID 114753015

IUPAC4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine
SMILESCCCCCCc1noc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-2-3-4-5-6-13-14(15(17)19-18-13)11-7-9-12(16)10-8-11/h7-10H,2-6,17H2,1H3
InChIKeyCGYOLLCFHKBGOI-UHFFFAOYSA-N
MW262.33 g/mol
LogP4.19
Rot. Bonds6

About 4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine

4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine (PubChem CID 114753015) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine
PubChem CID114753015
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine
SMILESCCCCCCc1noc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-2-3-4-5-6-13-14(15(17)19-18-13)11-7-9-12(16)10-8-11/h7-10H,2-6,17H2,1H3
InChIKeyCGYOLLCFHKBGOI-UHFFFAOYSA-N
XLogP4.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.19
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-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine (CID 114753015) is 4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine is CCCCCCc1noc(N)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine?
The InChIKey is CGYOLLCFHKBGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-2-3-4-5-6-13-14(15(17)19-18-13)11-7-9-12(16)10-8-11/h7-10H,2-6,17H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine?
4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine has a molecular weight of 262.33 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine is sourced from PubChem (CID 114753015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).