(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole

C27H21NO — CID 102576068

IUPAC(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-c2ccc(C3=N[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc2)cc1
InChIInChI=1S/C27H21NO/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)27-28-25(22-12-6-2-7-13-22)26(29-27)23-14-8-3-9-15-23/h1-19,25-26H/t25-,26-/m1/s1
InChIKeyZBDSDVZGGNGQEV-CLJLJLNGSA-N
MW375.47 g/mol
LogP6.61
Rot. Bonds4

About (4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole

(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 102576068) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is (4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID102576068
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-c2ccc(C3=N[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc2)cc1
InChIInChI=1S/C27H21NO/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)27-28-25(22-12-6-2-7-13-22)26(29-27)23-14-8-3-9-15-23/h1-19,25-26H/t25-,26-/m1/s1
InChIKeyZBDSDVZGGNGQEV-CLJLJLNGSA-N
XLogP6.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4S,5S)-5-methyl-2,4-diphenyl-4,5-dihydro-1,3-oxazole
CID 13191729
(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 102576070
(4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 102431667
[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 15259255
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
4-[(4R,5S,6R)-5-methyl-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl]benzonitrile
CID 10545942
(4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole
CID 10730547
(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
(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 101150502
(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
4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 154729890

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole (CID 102576068) is (4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole is c1ccc(-c2ccc(C3=N[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc2)cc1.
What is the InChIKey of (4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ZBDSDVZGGNGQEV-CLJLJLNGSA-N. The full InChI is InChI=1S/C27H21NO/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)27-28-25(22-12-6-2-7-13-22)26(29-27)23-14-8-3-9-15-23/h1-19,25-26H/t25-,26-/m1/s1.
What are the key properties of (4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole?
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 375.47 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102576068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).