(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol

C25H22N2O3 — CID 53324291

IUPAC(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
SMILESO[C@H](c1ncc(-c2ccccn2)o1)[C@H]1CCc2cc(Oc3ccccc3)ccc2C1
InChIInChI=1S/C25H22N2O3/c28-24(25-27-16-23(30-25)22-8-4-5-13-26-22)19-10-9-18-15-21(12-11-17(18)14-19)29-20-6-2-1-3-7-20/h1-8,11-13,15-16,19,24,28H,9-10,14H2/t19-,24-/m0/s1
InChIKeyHNDDBEODXBNDLJ-CYFREDJKSA-N
MW398.46 g/mol
LogP5.37
Rot. Bonds5

About (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol

(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol (PubChem CID 53324291) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
PubChem CID53324291
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
SMILESO[C@H](c1ncc(-c2ccccn2)o1)[C@H]1CCc2cc(Oc3ccccc3)ccc2C1
InChIInChI=1S/C25H22N2O3/c28-24(25-27-16-23(30-25)22-8-4-5-13-26-22)19-10-9-18-15-21(12-11-17(18)14-19)29-20-6-2-1-3-7-20/h1-8,11-13,15-16,19,24,28H,9-10,14H2/t19-,24-/m0/s1
InChIKeyHNDDBEODXBNDLJ-CYFREDJKSA-N
XLogP5.37
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol?
The IUPAC name of (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol (CID 53324291) is (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol.
What is the SMILES notation for (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol?
The canonical SMILES for (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol is O[C@H](c1ncc(-c2ccccn2)o1)[C@H]1CCc2cc(Oc3ccccc3)ccc2C1.
What is the InChIKey of (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol?
The InChIKey is HNDDBEODXBNDLJ-CYFREDJKSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-24(25-27-16-23(30-25)22-8-4-5-13-26-22)19-10-9-18-15-21(12-11-17(18)14-19)29-20-6-2-1-3-7-20/h1-8,11-13,15-16,19,24,28H,9-10,14H2/t19-,24-/m0/s1.
What are the key properties of (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol?
(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol has a molecular weight of 398.46 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanol is sourced from PubChem (CID 53324291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).