(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

C32H28N2O3 — CID 59919120

IUPAC(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
SMILESc1ccc([C@H]2N=C(COCC3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C32H28N2O3/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)36-27(33-29)21-35-22-28-34-30(24-15-7-2-8-16-24)32(37-28)26-19-11-4-12-20-26/h1-20,29-32H,21-22H2/t29-,30+,31+,32-
InChIKeyYWLNXEXSBDKHQX-UTRLAFKGSA-N
MW488.59 g/mol
LogP6.83
Rot. Bonds8

About (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

(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 (PubChem CID 59919120) has the molecular formula C32H28N2O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID59919120
Molecular FormulaC32H28N2O3
Molecular Weight488.59 g/mol
Exact Mass488.21
IUPAC Name(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
SMILESc1ccc([C@H]2N=C(COCC3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C32H28N2O3/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)36-27(33-29)21-35-22-28-34-30(24-15-7-2-8-16-24)32(37-28)26-19-11-4-12-20-26/h1-20,29-32H,21-22H2/t29-,30+,31+,32-
InChIKeyYWLNXEXSBDKHQX-UTRLAFKGSA-N
XLogP6.83
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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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
(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
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
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 11700037
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
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is c1ccc([C@H]2N=C(COCC3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1.
What is the InChIKey of (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?
The InChIKey is YWLNXEXSBDKHQX-UTRLAFKGSA-N. The full InChI is InChI=1S/C32H28N2O3/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)36-27(33-29)21-35-22-28-34-30(24-15-7-2-8-16-24)32(37-28)26-19-11-4-12-20-26/h1-20,29-32H,21-22H2/t29-,30+,31+,32-.
What are the key properties of (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?
(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 has a molecular weight of 488.59 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 59919120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).