(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol

C19H19Cl2FN4O4 — CID 127026677

IUPAC(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol
SMILESCC(C)Oc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1Cl
InChIInChI=1S/C19H19Cl2FN4O4/c1-9(2)29-19-14(21)3-10(6-24-19)18-25-17(26-30-18)12-4-15(22)16(5-13(12)20)28-8-11(23)7-27/h3-6,9,11,27H,7-8,23H2,1-2H3/t11-/m1/s1
InChIKeyVGYQUHSWPBIKFJ-LLVKDONJSA-N
MW457.29 g/mol
LogP3.73
Rot. Bonds8

About (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol

(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol (PubChem CID 127026677) has the molecular formula C19H19Cl2FN4O4 and a molecular weight of 457.29 g/mol. Its IUPAC name is (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol
PubChem CID127026677
Molecular FormulaC19H19Cl2FN4O4
Molecular Weight457.29 g/mol
Exact Mass456.08
IUPAC Name(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol
SMILESCC(C)Oc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1Cl
InChIInChI=1S/C19H19Cl2FN4O4/c1-9(2)29-19-14(21)3-10(6-24-19)18-25-17(26-30-18)12-4-15(22)16(5-13(12)20)28-8-11(23)7-27/h3-6,9,11,27H,7-8,23H2,1-2H3/t11-/m1/s1
InChIKeyVGYQUHSWPBIKFJ-LLVKDONJSA-N
XLogP3.73
TPSA116.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.29
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol (CID 127026677) is (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol is CC(C)Oc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1Cl.
What is the InChIKey of (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol?
The InChIKey is VGYQUHSWPBIKFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19Cl2FN4O4/c1-9(2)29-19-14(21)3-10(6-24-19)18-25-17(26-30-18)12-4-15(22)16(5-13(12)20)28-8-11(23)7-27/h3-6,9,11,27H,7-8,23H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol?
(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol has a molecular weight of 457.29 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol is sourced from PubChem (CID 127026677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).