(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

C33H30N2O2 — CID 101210417

IUPAC(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
SMILESCC(C)(C1=N[C@@H](c2ccccc2)C(c2ccccc2)O1)C1=N[C@@H](c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C33H30N2O2/c1-33(2,31-34-27(23-15-7-3-8-16-23)29(36-31)25-19-11-5-12-20-25)32-35-28(24-17-9-4-10-18-24)30(37-32)26-21-13-6-14-22-26/h3-22,27-30H,1-2H3/t27-,28-,29?,30?/m0/s1
InChIKeyZWWGNCSTEMMQOQ-HZVHRBLSSA-N
MW486.62 g/mol
LogP7.84
Rot. Bonds6

About (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

(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 (PubChem CID 101210417) has the molecular formula C33H30N2O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID101210417
Molecular FormulaC33H30N2O2
Molecular Weight486.62 g/mol
Exact Mass486.23
IUPAC Name(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
SMILESCC(C)(C1=N[C@@H](c2ccccc2)C(c2ccccc2)O1)C1=N[C@@H](c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C33H30N2O2/c1-33(2,31-34-27(23-15-7-3-8-16-23)29(36-31)25-19-11-5-12-20-25)32-35-28(24-17-9-4-10-18-24)30(37-32)26-21-13-6-14-22-26/h3-22,27-30H,1-2H3/t27-,28-,29?,30?/m0/s1
InChIKeyZWWGNCSTEMMQOQ-HZVHRBLSSA-N
XLogP7.84
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(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
(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
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
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
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)-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
(4S,5R)-2-[2-[(4S,5R)-4,5-dinaphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dinaphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 66552817
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
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
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
(4R)-2-[2-[(4R)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole
CID 66632491
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C1=N[C@@H](c2ccccc2)C(c2ccccc2)O1)C1=N[C@@H](c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of (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?
The InChIKey is ZWWGNCSTEMMQOQ-HZVHRBLSSA-N. The full InChI is InChI=1S/C33H30N2O2/c1-33(2,31-34-27(23-15-7-3-8-16-23)29(36-31)25-19-11-5-12-20-25)32-35-28(24-17-9-4-10-18-24)30(37-32)26-21-13-6-14-22-26/h3-22,27-30H,1-2H3/t27-,28-,29?,30?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 486.62 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 101210417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).