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

C15H12ClFN2O2 — CID 43335668

IUPAC4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2c(F)cccc2Cl)c(C)o1
InChIInChI=1S/C15H12ClFN2O2/c1-7-6-9(8(2)20-7)14-13(15(18)21-19-14)12-10(16)4-3-5-11(12)17/h3-6H,18H2,1-2H3
InChIKeyZHGYOBSGCLQLIO-UHFFFAOYSA-N
MW306.72 g/mol
LogP4.59
Rot. Bonds2

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

4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine (PubChem CID 43335668) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
PubChem CID43335668
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2c(F)cccc2Cl)c(C)o1
InChIInChI=1S/C15H12ClFN2O2/c1-7-6-9(8(2)20-7)14-13(15(18)21-19-14)12-10(16)4-3-5-11(12)17/h3-6H,18H2,1-2H3
InChIKeyZHGYOBSGCLQLIO-UHFFFAOYSA-N
XLogP4.59
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 54.59
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-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine (CID 43335668) is 4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2c(F)cccc2Cl)c(C)o1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
The InChIKey is ZHGYOBSGCLQLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-7-6-9(8(2)20-7)14-13(15(18)21-19-14)12-10(16)4-3-5-11(12)17/h3-6H,18H2,1-2H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine has a molecular weight of 306.72 g/mol, XLogP of 4.59, 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-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).