2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole

C39H34N2O2 — CID 155888910

IUPAC2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESCC(Cc1ccccc1)(C1=NC(c2ccccc2)C(c2ccccc2)O1)C1=NC(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C39H34N2O2/c1-39(27-28-17-7-2-8-18-28,37-40-33(29-19-9-3-10-20-29)35(42-37)31-23-13-5-14-24-31)38-41-34(30-21-11-4-12-22-30)36(43-38)32-25-15-6-16-26-32/h2-26,33-36H,27H2,1H3
InChIKeyIGVIJCJVSBUFQB-UHFFFAOYSA-N
MW562.71 g/mol
LogP9.06
Rot. Bonds8

About 2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole

2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 155888910) has the molecular formula C39H34N2O2 and a molecular weight of 562.71 g/mol. Its IUPAC name is 2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID155888910
Molecular FormulaC39H34N2O2
Molecular Weight562.71 g/mol
Exact Mass562.26
IUPAC Name2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESCC(Cc1ccccc1)(C1=NC(c2ccccc2)C(c2ccccc2)O1)C1=NC(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C39H34N2O2/c1-39(27-28-17-7-2-8-18-28,37-40-33(29-19-9-3-10-20-29)35(42-37)31-23-13-5-14-24-31)38-41-34(30-21-11-4-12-22-30)36(43-38)32-25-15-6-16-26-32/h2-26,33-36H,27H2,1H3
InChIKeyIGVIJCJVSBUFQB-UHFFFAOYSA-N
XLogP9.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-[2-[(4S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101210417
(4R,5R)-2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10972956
2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 155889518
4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole
CID 155885296
(4S,5R)-5-methyl-2-[2-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10546604
(4R,5R)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 90840286
1-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine
CID 23380091
1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59910326
(4S,5R)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 59919120
2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 139735098
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane
CID 59919108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole (CID 155888910) is 2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole is CC(Cc1ccccc1)(C1=NC(c2ccccc2)C(c2ccccc2)O1)C1=NC(c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of 2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IGVIJCJVSBUFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2O2/c1-39(27-28-17-7-2-8-18-28,37-40-33(29-19-9-3-10-20-29)35(42-37)31-23-13-5-14-24-31)38-41-34(30-21-11-4-12-22-30)36(43-38)32-25-15-6-16-26-32/h2-26,33-36H,27H2,1H3.
What are the key properties of 2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 562.71 g/mol, XLogP of 9.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 155888910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).