2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole

C25H23N3O — CID 89492373

IUPAC2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccncc3)c([C@H]3CC[C@H](c4ccccc4)NC3)o2)cc1
InChIInChI=1S/C25H23N3O/c1-3-7-18(8-4-1)22-12-11-21(17-27-22)24-23(19-13-15-26-16-14-19)28-25(29-24)20-9-5-2-6-10-20/h1-10,13-16,21-22,27H,11-12,17H2/t21-,22+/m0/s1
InChIKeyTWMBNPCRYUBAJF-FCHUYYIVSA-N
MW381.48 g/mol
LogP5.61
Rot. Bonds4

About 2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole

2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole (PubChem CID 89492373) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole
PubChem CID89492373
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccncc3)c([C@H]3CC[C@H](c4ccccc4)NC3)o2)cc1
InChIInChI=1S/C25H23N3O/c1-3-7-18(8-4-1)22-12-11-21(17-27-22)24-23(19-13-15-26-16-14-19)28-25(29-24)20-9-5-2-6-10-20/h1-10,13-16,21-22,27H,11-12,17H2/t21-,22+/m0/s1
InChIKeyTWMBNPCRYUBAJF-FCHUYYIVSA-N
XLogP5.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole?
The IUPAC name of 2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole (CID 89492373) is 2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole.
What is the SMILES notation for 2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole?
The canonical SMILES for 2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole is c1ccc(-c2nc(-c3ccncc3)c([C@H]3CC[C@H](c4ccccc4)NC3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole?
The InChIKey is TWMBNPCRYUBAJF-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H23N3O/c1-3-7-18(8-4-1)22-12-11-21(17-27-22)24-23(19-13-15-26-16-14-19)28-25(29-24)20-9-5-2-6-10-20/h1-10,13-16,21-22,27H,11-12,17H2/t21-,22+/m0/s1.
What are the key properties of 2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole?
2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole has a molecular weight of 381.48 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(3S,6R)-6-phenylpiperidin-3-yl]-4-pyridin-4-yl-1,3-oxazole is sourced from PubChem (CID 89492373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).