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

C15H12ClFN2O2 — CID 43335677

IUPAC4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine
SMILESNc1onc(CCc2ccco2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C15H12ClFN2O2/c16-10-4-1-5-11(17)13(10)14-12(19-21-15(14)18)7-6-9-3-2-8-20-9/h1-5,8H,6-7,18H2
InChIKeyJHBWCGAXMNIVGW-UHFFFAOYSA-N
MW306.72 g/mol
LogP4.09
Rot. Bonds4

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

4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine (PubChem CID 43335677) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine
PubChem CID43335677
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine
SMILESNc1onc(CCc2ccco2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C15H12ClFN2O2/c16-10-4-1-5-11(17)13(10)14-12(19-21-15(14)18)7-6-9-3-2-8-20-9/h1-5,8H,6-7,18H2
InChIKeyJHBWCGAXMNIVGW-UHFFFAOYSA-N
XLogP4.09
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 54.09
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-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine (CID 43335677) is 4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine is Nc1onc(CCc2ccco2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is JHBWCGAXMNIVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c16-10-4-1-5-11(17)13(10)14-12(19-21-15(14)18)7-6-9-3-2-8-20-9/h1-5,8H,6-7,18H2.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine has a molecular weight of 306.72 g/mol, XLogP of 4.09, 4 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-[2-(furan-2-yl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 43335677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).