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

C13H8ClFN2O2 — CID 106690632

IUPAC5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)o2)c1-c1ccc(F)cc1
InChIInChI=1S/C13H8ClFN2O2/c14-10-6-5-9(18-10)12-11(13(16)17-19-12)7-1-3-8(15)4-2-7/h1-6H,(H2,16,17)
InChIKeyFPOONKKBWFAZLB-UHFFFAOYSA-N
MW278.67 g/mol
LogP3.98
Rot. Bonds2

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

5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 106690632) has the molecular formula C13H8ClFN2O2 and a molecular weight of 278.67 g/mol. Its IUPAC name is 5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID106690632
Molecular FormulaC13H8ClFN2O2
Molecular Weight278.67 g/mol
Exact Mass278.03
IUPAC Name5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)o2)c1-c1ccc(F)cc1
InChIInChI=1S/C13H8ClFN2O2/c14-10-6-5-9(18-10)12-11(13(16)17-19-12)7-1-3-8(15)4-2-7/h1-6H,(H2,16,17)
InChIKeyFPOONKKBWFAZLB-UHFFFAOYSA-N
XLogP3.98
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine (CID 106690632) is 5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Cl)o2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is FPOONKKBWFAZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2/c14-10-6-5-9(18-10)12-11(13(16)17-19-12)7-1-3-8(15)4-2-7/h1-6H,(H2,16,17).
What are the key properties of 5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 278.67 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 106690632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).