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

C21H22N2O2 — CID 20759766

IUPAC(4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@@H]2COC(CC3=N[C@H](Cc4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C21H22N2O2/c1-3-7-16(8-4-1)11-18-14-24-20(22-18)13-21-23-19(15-25-21)12-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-,19-/m1/s1
InChIKeyFJGIVZKTXYTIHL-RTBURBONSA-N
MW334.42 g/mol
LogP3.46
Rot. Bonds6

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

(4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 20759766) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID20759766
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@@H]2COC(CC3=N[C@H](Cc4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C21H22N2O2/c1-3-7-16(8-4-1)11-18-14-24-20(22-18)13-21-23-19(15-25-21)12-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-,19-/m1/s1
InChIKeyFJGIVZKTXYTIHL-RTBURBONSA-N
XLogP3.46
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.46
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
Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-5-[(2,4,5-trifluorophenyl)methyl]-, (2S,5R)-
CID 11290377
(2S)-3,6-dimethoxy-2-propan-2-yl-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 89867549

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (CID 20759766) is (4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is c1ccc(C[C@@H]2COC(CC3=N[C@H](Cc4ccccc4)CO3)=N2)cc1.
What is the InChIKey of (4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is FJGIVZKTXYTIHL-RTBURBONSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-7-16(8-4-1)11-18-14-24-20(22-18)13-21-23-19(15-25-21)12-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-,19-/m1/s1.
What are the key properties of (4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 334.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 20759766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).