(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

C31H26N2O2 — CID 90840286

IUPAC(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
SMILESc1ccc([C@H]2N=C(CC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C31H26N2O2/c1-5-13-22(14-6-1)28-30(24-17-9-3-10-18-24)34-26(32-28)21-27-33-29(23-15-7-2-8-16-23)31(35-27)25-19-11-4-12-20-25/h1-20,28-31H,21H2/t28-,29-,30-,31+/m1/s1
InChIKeyBVEHHQYXICTXGR-VTMRUAGOSA-N
MW458.56 g/mol
LogP7.20
Rot. Bonds6

About (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

(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 (PubChem CID 90840286) has the molecular formula C31H26N2O2 and a molecular weight of 458.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID90840286
Molecular FormulaC31H26N2O2
Molecular Weight458.56 g/mol
Exact Mass458.20
IUPAC Name(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
SMILESc1ccc([C@H]2N=C(CC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C31H26N2O2/c1-5-13-22(14-6-1)28-30(24-17-9-3-10-18-24)34-26(32-28)21-27-33-29(23-15-7-2-8-16-23)31(35-27)25-19-11-4-12-20-25/h1-20,28-31H,21H2/t28-,29-,30-,31+/m1/s1
InChIKeyBVEHHQYXICTXGR-VTMRUAGOSA-N
XLogP7.20
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
(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
bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane
CID 59919108
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;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 160545550
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
(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
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
(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
1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919091
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
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is c1ccc([C@H]2N=C(CC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (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?
The InChIKey is BVEHHQYXICTXGR-VTMRUAGOSA-N. The full InChI is InChI=1S/C31H26N2O2/c1-5-13-22(14-6-1)28-30(24-17-9-3-10-18-24)34-26(32-28)21-27-33-29(23-15-7-2-8-16-23)31(35-27)25-19-11-4-12-20-25/h1-20,28-31H,21H2/t28-,29-,30-,31+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 458.56 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 90840286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).