(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole

C40H32N4O4 — CID 162121836

IUPAC(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
SMILESc1ccc(-c2ccc([C@@H]3CC(Oc4cccnc4)=NO3)cc2)cc1.c1ccc(-c2ccc([C@H]3CC(Oc4cccnc4)=NO3)cc2)cc1
InChIInChI=1S/2C20H16N2O2/c2*1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-13-20(22-24-19)23-18-7-4-12-21-14-18/h2*1-12,14,19H,13H2/t2*19-/m10/s1
InChIKeyZHMZCWDFAQABET-OYPHMNEHSA-N
MW632.72 g/mol
LogP9.20
Rot. Bonds6

About (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole

(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole (PubChem CID 162121836) has the molecular formula C40H32N4O4 and a molecular weight of 632.72 g/mol. Its IUPAC name is (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
PubChem CID162121836
Molecular FormulaC40H32N4O4
Molecular Weight632.72 g/mol
Exact Mass632.24
IUPAC Name(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
SMILESc1ccc(-c2ccc([C@@H]3CC(Oc4cccnc4)=NO3)cc2)cc1.c1ccc(-c2ccc([C@H]3CC(Oc4cccnc4)=NO3)cc2)cc1
InChIInChI=1S/2C20H16N2O2/c2*1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-13-20(22-24-19)23-18-7-4-12-21-14-18/h2*1-12,14,19H,13H2/t2*19-/m10/s1
InChIKeyZHMZCWDFAQABET-OYPHMNEHSA-N
XLogP9.20
TPSA87.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.72
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole (CID 162121836) is (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole is c1ccc(-c2ccc([C@@H]3CC(Oc4cccnc4)=NO3)cc2)cc1.c1ccc(-c2ccc([C@H]3CC(Oc4cccnc4)=NO3)cc2)cc1.
What is the InChIKey of (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole?
The InChIKey is ZHMZCWDFAQABET-OYPHMNEHSA-N. The full InChI is InChI=1S/2C20H16N2O2/c2*1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-13-20(22-24-19)23-18-7-4-12-21-14-18/h2*1-12,14,19H,13H2/t2*19-/m10/s1.
What are the key properties of (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole?
(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole has a molecular weight of 632.72 g/mol, XLogP of 9.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 162121836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).