(2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol

C22H27N3O3 — CID 175260512

IUPAC(2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol
SMILESCCc1cc(-c2nc(-c3cc(CC)c(OC)c(C[C@H](C)O)c3)no2)cc(C)n1
InChIInChI=1S/C22H27N3O3/c1-6-15-10-17(11-16(9-14(4)26)20(15)27-5)21-24-22(28-25-21)18-8-13(3)23-19(7-2)12-18/h8,10-12,14,26H,6-7,9H2,1-5H3/t14-/m0/s1
InChIKeyFUKRJVVKAUZDMR-AWEZNQCLSA-N
MW381.48 g/mol
LogP4.16
Rot. Bonds7

About (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol

(2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol (PubChem CID 175260512) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol
PubChem CID175260512
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol
SMILESCCc1cc(-c2nc(-c3cc(CC)c(OC)c(C[C@H](C)O)c3)no2)cc(C)n1
InChIInChI=1S/C22H27N3O3/c1-6-15-10-17(11-16(9-14(4)26)20(15)27-5)21-24-22(28-25-21)18-8-13(3)23-19(7-2)12-18/h8,10-12,14,26H,6-7,9H2,1-5H3/t14-/m0/s1
InChIKeyFUKRJVVKAUZDMR-AWEZNQCLSA-N
XLogP4.16
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol
CID 174649481
3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
CID 25197008
1-amino-3-[2-ethyl-6-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
CID 59234765
3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 141199041
(4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140546391
N-[3-[2-ethyl-4-[3-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25031864
(2R)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68555501
3-[2-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propane-1,2-diol
CID 68555668
3-[2-chloro-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68551053
3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 174629444
3-[4-[5-[2-(dimethylamino)-6-ethyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
CID 69043460
1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol
CID 117329700

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol?
The IUPAC name of (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol (CID 175260512) is (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol?
The canonical SMILES for (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol is CCc1cc(-c2nc(-c3cc(CC)c(OC)c(C[C@H](C)O)c3)no2)cc(C)n1.
What is the InChIKey of (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol?
The InChIKey is FUKRJVVKAUZDMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-6-15-10-17(11-16(9-14(4)26)20(15)27-5)21-24-22(28-25-21)18-8-13(3)23-19(7-2)12-18/h8,10-12,14,26H,6-7,9H2,1-5H3/t14-/m0/s1.
What are the key properties of (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol?
(2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol has a molecular weight of 381.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol is sourced from PubChem (CID 175260512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).