[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone

C24H19N3O3 — CID 52951461

IUPAC[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccccn2)o1)[C@@H]1CCc2cc(Oc3ccccc3)ccc2C1
InChIInChI=1S/C24H19N3O3/c28-22(24-27-26-23(30-24)21-8-4-5-13-25-21)18-10-9-17-15-20(12-11-16(17)14-18)29-19-6-2-1-3-7-19/h1-8,11-13,15,18H,9-10,14H2/t18-/m1/s1
InChIKeyHLMNHEOLJAXWIH-GOSISDBHSA-N
MW397.43 g/mol
LogP4.91
Rot. Bonds5

About [(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone

[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 52951461) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is [(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID52951461
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccccn2)o1)[C@@H]1CCc2cc(Oc3ccccc3)ccc2C1
InChIInChI=1S/C24H19N3O3/c28-22(24-27-26-23(30-24)21-8-4-5-13-25-21)18-10-9-17-15-20(12-11-16(17)14-18)29-19-6-2-1-3-7-19/h1-8,11-13,15,18H,9-10,14H2/t18-/m1/s1
InChIKeyHLMNHEOLJAXWIH-GOSISDBHSA-N
XLogP4.91
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 52951461) is [(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1nnc(-c2ccccn2)o1)[C@@H]1CCc2cc(Oc3ccccc3)ccc2C1.
What is the InChIKey of [(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is HLMNHEOLJAXWIH-GOSISDBHSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-22(24-27-26-23(30-24)21-8-4-5-13-25-21)18-10-9-17-15-20(12-11-16(17)14-18)29-19-6-2-1-3-7-19/h1-8,11-13,15,18H,9-10,14H2/t18-/m1/s1.
What are the key properties of [(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 397.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 52951461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).