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

C25H20N2O2 — CID 52952694

IUPAC[(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccn2)o1)[C@H]1CCc2cc(-c3ccccc3)ccc2C1
InChIInChI=1S/C25H20N2O2/c28-24(25-27-16-23(29-25)22-8-4-5-13-26-22)21-12-11-19-14-18(9-10-20(19)15-21)17-6-2-1-3-7-17/h1-10,13-14,16,21H,11-12,15H2/t21-/m0/s1
InChIKeyFKTFBJVEZUSJBH-NRFANRHFSA-N
MW380.45 g/mol
LogP5.39
Rot. Bonds4

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

[(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (PubChem CID 52952694) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
PubChem CID52952694
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name[(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccn2)o1)[C@H]1CCc2cc(-c3ccccc3)ccc2C1
InChIInChI=1S/C25H20N2O2/c28-24(25-27-16-23(29-25)22-8-4-5-13-26-22)21-12-11-19-14-18(9-10-20(19)15-21)17-6-2-1-3-7-17/h1-10,13-14,16,21H,11-12,15H2/t21-/m0/s1
InChIKeyFKTFBJVEZUSJBH-NRFANRHFSA-N
XLogP5.39
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (CID 52952694) is [(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is O=C(c1ncc(-c2ccccn2)o1)[C@H]1CCc2cc(-c3ccccc3)ccc2C1.
What is the InChIKey of [(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is FKTFBJVEZUSJBH-NRFANRHFSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-24(25-27-16-23(29-25)22-8-4-5-13-26-22)21-12-11-19-14-18(9-10-20(19)15-21)17-6-2-1-3-7-17/h1-10,13-14,16,21H,11-12,15H2/t21-/m0/s1.
What are the key properties of [(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
[(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 52952694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).