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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Related Compounds

4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
CID 114753024
3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 55130857
3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80522271
3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 65428658
4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43157921
3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62503085
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 82089595
4-(4-chlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66197935
4-(5-chloro-2-methoxyphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43336106
4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine
CID 102922007
3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335930

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).