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

C21H24ClFN4O3 — CID 127035166

IUPAC(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)-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(CC(C)C)n1
InChIInChI=1S/C21H24ClFN4O3/c1-11(2)4-15-6-13(5-12(3)25-15)21-26-20(27-30-21)16-7-18(23)19(8-17(16)22)29-10-14(24)9-28/h5-8,11,14,28H,4,9-10,24H2,1-3H3/t14-/m1/s1
InChIKeyGERZIJBHMGUQDR-CQSZACIVSA-N
MW434.90 g/mol
LogP3.80
Rot. Bonds8

About (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)-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-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (PubChem CID 127035166) has the molecular formula C21H24ClFN4O3 and a molecular weight of 434.90 g/mol. Its IUPAC name is (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)-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-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
PubChem CID127035166
Molecular FormulaC21H24ClFN4O3
Molecular Weight434.90 g/mol
Exact Mass434.15
IUPAC Name(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)-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(CC(C)C)n1
InChIInChI=1S/C21H24ClFN4O3/c1-11(2)4-15-6-13(5-12(3)25-15)21-26-20(27-30-21)16-7-18(23)19(8-17(16)22)29-10-14(24)9-28/h5-8,11,14,28H,4,9-10,24H2,1-3H3/t14-/m1/s1
InChIKeyGERZIJBHMGUQDR-CQSZACIVSA-N
XLogP3.80
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

(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
(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
[4-[5-[4-[(2S)-2-amino-3-hydroxypropoxy]-2-chloro-5-fluorophenyl]-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 118717775
[4-[5-[4-[(2S)-2-amino-3-hydroxypropoxy]-2-chloro-5-fluorophenyl]-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-(3-ethyl-2-pyridinyl)methanone
CID 118717776
(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
1-[(3R)-3-[[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]morpholin-4-yl]ethanone
CID 127036194

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)-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-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (CID 127035166) is (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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(CC(C)C)n1.
What is the InChIKey of (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The InChIKey is GERZIJBHMGUQDR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24ClFN4O3/c1-11(2)4-15-6-13(5-12(3)25-15)21-26-20(27-30-21)16-7-18(23)19(8-17(16)22)29-10-14(24)9-28/h5-8,11,14,28H,4,9-10,24H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)-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-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol has a molecular weight of 434.90 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol is sourced from PubChem (CID 127035166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).