(4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole

C20H20N2O2 — CID 697917

IUPAC(4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(C3=N[C@H](Cc4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-7-15(8-4-1)11-17-13-23-19(21-17)20-22-18(14-24-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+
InChIKeyOIEQQWQZUYZCRJ-HDICACEKSA-N
MW320.39 g/mol
LogP3.07
Rot. Bonds5

About (4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole

(4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 697917) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID697917
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(C3=N[C@H](Cc4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-7-15(8-4-1)11-17-13-23-19(21-17)20-22-18(14-24-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+
InChIKeyOIEQQWQZUYZCRJ-HDICACEKSA-N
XLogP3.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
AG-H-02521
CID 5325154
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
CID 102142826
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 3782418
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole (CID 697917) is (4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(C3=N[C@H](Cc4ccccc4)CO3)=N2)cc1.
What is the InChIKey of (4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is OIEQQWQZUYZCRJ-HDICACEKSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-7-15(8-4-1)11-17-13-23-19(21-17)20-22-18(14-24-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+.
What are the key properties of (4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole?
(4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 320.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 697917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).