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

C13H9FN2O2 — CID 43158167

IUPAC4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccoc2)c1-c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2/c14-10-3-1-8(2-4-10)11-12(16-18-13(11)15)9-5-6-17-7-9/h1-7H,15H2
InChIKeyUDRZVDQGKLNJDZ-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.32
Rot. Bonds2

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

4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine (PubChem CID 43158167) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine
PubChem CID43158167
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccoc2)c1-c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2/c14-10-3-1-8(2-4-10)11-12(16-18-13(11)15)9-5-6-17-7-9/h1-7H,15H2
InChIKeyUDRZVDQGKLNJDZ-UHFFFAOYSA-N
XLogP3.32
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine (CID 43158167) is 4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine is Nc1onc(-c2ccoc2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine?
The InChIKey is UDRZVDQGKLNJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-10-3-1-8(2-4-10)11-12(16-18-13(11)15)9-5-6-17-7-9/h1-7H,15H2.
What are the key properties of 4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine?
4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine has a molecular weight of 244.23 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).