(4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C26H22NOP — CID 11238496

IUPAC(4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-c2ccc(-c3ccccc3)p2CC2=N[C@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C26H22NOP/c1-4-10-20(11-5-1)23-18-28-26(27-23)19-29-24(21-12-6-2-7-13-21)16-17-25(29)22-14-8-3-9-15-22/h1-17,23H,18-19H2/t23-/m0/s1
InChIKeyJDZFQAYQYNQXBU-QHCPKHFHSA-N
MW395.44 g/mol
LogP7.18
Rot. Bonds5

About (4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole

(4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 11238496) has the molecular formula C26H22NOP and a molecular weight of 395.44 g/mol. Its IUPAC name is (4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID11238496
Molecular FormulaC26H22NOP
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name(4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-c2ccc(-c3ccccc3)p2CC2=N[C@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C26H22NOP/c1-4-10-20(11-5-1)23-18-28-26(27-23)19-29-24(21-12-6-2-7-13-21)16-17-25(29)22-14-8-3-9-15-22/h1-17,23H,18-19H2/t23-/m0/s1
InChIKeyJDZFQAYQYNQXBU-QHCPKHFHSA-N
XLogP7.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 11238496) is (4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole is c1ccc(-c2ccc(-c3ccccc3)p2CC2=N[C@H](c3ccccc3)CO2)cc1.
What is the InChIKey of (4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is JDZFQAYQYNQXBU-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H22NOP/c1-4-10-20(11-5-1)23-18-28-26(27-23)19-29-24(21-12-6-2-7-13-21)16-17-25(29)22-14-8-3-9-15-22/h1-17,23H,18-19H2/t23-/m0/s1.
What are the key properties of (4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
(4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 395.44 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11238496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).