(2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol

C24H23N3O3 — CID 99791750

IUPAC(2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESC[C@H](c1ccccc1)[C@@](C)(O)c1nc(-c2ccc(OCc3cccnc3)cc2)no1
InChIInChI=1S/C24H23N3O3/c1-17(19-8-4-3-5-9-19)24(2,28)23-26-22(27-30-23)20-10-12-21(13-11-20)29-16-18-7-6-14-25-15-18/h3-15,17,28H,16H2,1-2H3/t17-,24-/m1/s1
InChIKeyRIYSDSGUBLBOBZ-MZNJEOGPSA-N
MW401.47 g/mol
LogP4.72
Rot. Bonds7

About (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol

(2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 99791750) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID99791750
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name(2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESC[C@H](c1ccccc1)[C@@](C)(O)c1nc(-c2ccc(OCc3cccnc3)cc2)no1
InChIInChI=1S/C24H23N3O3/c1-17(19-8-4-3-5-9-19)24(2,28)23-26-22(27-30-23)20-10-12-21(13-11-20)29-16-18-7-6-14-25-15-18/h3-15,17,28H,16H2,1-2H3/t17-,24-/m1/s1
InChIKeyRIYSDSGUBLBOBZ-MZNJEOGPSA-N
XLogP4.72
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol with MolForge

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Related Compounds

1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 46463313
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide
CID 55692680
5-[(1S,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazole
CID 98359794
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 6464068
5-[(4-tert-butylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1085872
methyl N-[1-[3-[4-(4-phenylmethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 155524299
[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008072
4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one
CID 54681354

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 99791750) is (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol is C[C@H](c1ccccc1)[C@@](C)(O)c1nc(-c2ccc(OCc3cccnc3)cc2)no1.
What is the InChIKey of (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is RIYSDSGUBLBOBZ-MZNJEOGPSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17(19-8-4-3-5-9-19)24(2,28)23-26-22(27-30-23)20-10-12-21(13-11-20)29-16-18-7-6-14-25-15-18/h3-15,17,28H,16H2,1-2H3/t17-,24-/m1/s1.
What are the key properties of (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
(2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 401.47 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 99791750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).