5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine

C17H13Cl2F2N3O3 — CID 163364029

IUPAC5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine
SMILESCCOc1cnc(-c2nc(-c3ccc(Cl)c(OC)c3F)c(F)c(N)c2Cl)o1
InChIInChI=1S/C17H13Cl2F2N3O3/c1-3-26-9-6-23-17(27-9)15-10(19)13(22)12(21)14(24-15)7-4-5-8(18)16(25-2)11(7)20/h4-6H,3H2,1-2H3,(H2,22,24)
InChIKeySGKNJMOSZRICAI-UHFFFAOYSA-N
MW416.21 g/mol
LogP4.98
Rot. Bonds5

About 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine

5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine (PubChem CID 163364029) has the molecular formula C17H13Cl2F2N3O3 and a molecular weight of 416.21 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine
PubChem CID163364029
Molecular FormulaC17H13Cl2F2N3O3
Molecular Weight416.21 g/mol
Exact Mass415.03
IUPAC Name5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine
SMILESCCOc1cnc(-c2nc(-c3ccc(Cl)c(OC)c3F)c(F)c(N)c2Cl)o1
InChIInChI=1S/C17H13Cl2F2N3O3/c1-3-26-9-6-23-17(27-9)15-10(19)13(22)12(21)14(24-15)7-4-5-8(18)16(25-2)11(7)20/h4-6H,3H2,1-2H3,(H2,22,24)
InChIKeySGKNJMOSZRICAI-UHFFFAOYSA-N
XLogP4.98
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.21
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine?
The IUPAC name of 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine (CID 163364029) is 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine.
What is the SMILES notation for 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine?
The canonical SMILES for 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine is CCOc1cnc(-c2nc(-c3ccc(Cl)c(OC)c3F)c(F)c(N)c2Cl)o1.
What is the InChIKey of 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine?
The InChIKey is SGKNJMOSZRICAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2N3O3/c1-3-26-9-6-23-17(27-9)15-10(19)13(22)12(21)14(24-15)7-4-5-8(18)16(25-2)11(7)20/h4-6H,3H2,1-2H3,(H2,22,24).
What are the key properties of 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine?
5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine has a molecular weight of 416.21 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine is sourced from PubChem (CID 163364029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).