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

C24H21NO2 — CID 102431667

IUPAC(4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESC=CCOc1cccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)c1
InChIInChI=1S/C24H21NO2/c1-2-16-26-21-15-9-14-20(17-21)24-25-22(18-10-5-3-6-11-18)23(27-24)19-12-7-4-8-13-19/h2-15,17,22-23H,1,16H2/t22-,23-/m1/s1
InChIKeyHBPWEOCHURVGLW-DHIUTWEWSA-N
MW355.44 g/mol
LogP5.51
Rot. Bonds6

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

(4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 102431667) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID102431667
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESC=CCOc1cccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)c1
InChIInChI=1S/C24H21NO2/c1-2-16-26-21-15-9-14-20(17-21)24-25-22(18-10-5-3-6-11-18)23(27-24)19-12-7-4-8-13-19/h2-15,17,22-23H,1,16H2/t22-,23-/m1/s1
InChIKeyHBPWEOCHURVGLW-DHIUTWEWSA-N
XLogP5.51
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 102576070
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(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
CID 174846151
CID 174846151
N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline
CID 102280178
(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,5S)-5-(bromomethyl)-4-ethenyl-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 135045110
4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 154729890
(3-prop-2-enoxyphenyl)azanium
CID 59822882
(4S,5S)-5-methyl-2,4-diphenyl-4,5-dihydro-1,3-oxazole
CID 13191729
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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 102431667) is (4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole is C=CCOc1cccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)c1.
What is the InChIKey of (4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is HBPWEOCHURVGLW-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H21NO2/c1-2-16-26-21-15-9-14-20(17-21)24-25-22(18-10-5-3-6-11-18)23(27-24)19-12-7-4-8-13-19/h2-15,17,22-23H,1,16H2/t22-,23-/m1/s1.
What are the key properties of (4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole?
(4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 355.44 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102431667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).