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

C21H22N2O2 — CID 11028000

IUPAC(4S)-4-benzyl-2-[[(4S)-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-/m0/s1
InChIKeyFJGIVZKTXYTIHL-OALUTQOASA-N
MW334.42 g/mol
LogP3.46
Rot. Bonds6

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

(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 11028000) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID11028000
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(4S)-4-benzyl-2-[[(4S)-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-/m0/s1
InChIKeyFJGIVZKTXYTIHL-OALUTQOASA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (CID 11028000) is (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[[(4S)-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 (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is FJGIVZKTXYTIHL-OALUTQOASA-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-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[[(4S)-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 (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11028000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).