(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol

C20H23ClFN5O3 — CID 127029506

IUPAC(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
SMILESCc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(NC(C)C)n1
InChIInChI=1S/C20H23ClFN5O3/c1-10(2)24-18-5-12(4-11(3)25-18)20-26-19(27-30-20)14-6-16(22)17(7-15(14)21)29-9-13(23)8-28/h4-7,10,13,28H,8-9,23H2,1-3H3,(H,24,25)/t13-/m1/s1
InChIKeyGNMILZQJXYJNLC-CYBMUJFWSA-N
MW435.89 g/mol
LogP3.42
Rot. Bonds8

About (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol

(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (PubChem CID 127029506) has the molecular formula C20H23ClFN5O3 and a molecular weight of 435.89 g/mol. Its IUPAC name is (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
PubChem CID127029506
Molecular FormulaC20H23ClFN5O3
Molecular Weight435.89 g/mol
Exact Mass435.15
IUPAC Name(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
SMILESCc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(NC(C)C)n1
InChIInChI=1S/C20H23ClFN5O3/c1-10(2)24-18-5-12(4-11(3)25-18)20-26-19(27-30-20)14-6-16(22)17(7-15(14)21)29-9-13(23)8-28/h4-7,10,13,28H,8-9,23H2,1-3H3,(H,24,25)/t13-/m1/s1
InChIKeyGNMILZQJXYJNLC-CYBMUJFWSA-N
XLogP3.42
TPSA119.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[4-[(2R)-2-amino-3-hydroxypropoxy]-2-chloro-5-fluorophenyl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile
CID 124171496
(4S)-4-[[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 127036057
(3R,4S)-4-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]oxolan-3-ol
CID 127036244
(4S)-4-[[2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 127036262
(5R)-5-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one
CID 127037056
(5S)-5-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one
CID 127037196
(5R)-5-[[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]pyrrolidin-2-one
CID 127037451
(5R)-5-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one
CID 124171453
(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
CID 124171493
(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-(6-methyl-5-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
CID 124171494
(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol
CID 124171513
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (CID 127029506) is (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol is Cc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(NC(C)C)n1.
What is the InChIKey of (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The InChIKey is GNMILZQJXYJNLC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23ClFN5O3/c1-10(2)24-18-5-12(4-11(3)25-18)20-26-19(27-30-20)14-6-16(22)17(7-15(14)21)29-9-13(23)8-28/h4-7,10,13,28H,8-9,23H2,1-3H3,(H,24,25)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol has a molecular weight of 435.89 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol is sourced from PubChem (CID 127029506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).