4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine

C13H8ClFN2O2 — CID 43335667

IUPAC4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccco2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H8ClFN2O2/c14-7-3-1-4-8(15)10(7)11-12(17-19-13(11)16)9-5-2-6-18-9/h1-6H,16H2
InChIKeyNKCZUDBXIJNCGY-UHFFFAOYSA-N
MW278.67 g/mol
LogP3.98
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine

4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine (PubChem CID 43335667) has the molecular formula C13H8ClFN2O2 and a molecular weight of 278.67 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
PubChem CID43335667
Molecular FormulaC13H8ClFN2O2
Molecular Weight278.67 g/mol
Exact Mass278.03
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccco2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H8ClFN2O2/c14-7-3-1-4-8(15)10(7)11-12(17-19-13(11)16)9-5-2-6-18-9/h1-6H,16H2
InChIKeyNKCZUDBXIJNCGY-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 4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine (CID 43335667) is 4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine is Nc1onc(-c2ccco2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine?
The InChIKey is NKCZUDBXIJNCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2/c14-7-3-1-4-8(15)10(7)11-12(17-19-13(11)16)9-5-2-6-18-9/h1-6H,16H2.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-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 4-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).