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

C27H26N2O2 — CID 102183101

IUPAC(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(C(C3=N[C@@H](Cc4ccccc4)CO3)c3ccccc3)=N2)cc1
InChIInChI=1S/C27H26N2O2/c1-4-10-20(11-5-1)16-23-18-30-26(28-23)25(22-14-8-3-9-15-22)27-29-24(19-31-27)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19H2/t23-,24-/m0/s1
InChIKeyAFIPCIJUYNUZTA-ZEQRLZLVSA-N
MW410.52 g/mol
LogP4.85
Rot. Bonds7

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

(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102183101) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-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]-phenylmethyl]-4,5-dihydro-1,3-oxazole
PubChem CID102183101
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(C(C3=N[C@@H](Cc4ccccc4)CO3)c3ccccc3)=N2)cc1
InChIInChI=1S/C27H26N2O2/c1-4-10-20(11-5-1)16-23-18-30-26(28-23)25(22-14-8-3-9-15-22)27-29-24(19-31-27)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19H2/t23-,24-/m0/s1
InChIKeyAFIPCIJUYNUZTA-ZEQRLZLVSA-N
XLogP4.85
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.85
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]-phenylmethyl]-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]-phenylmethyl]-4,5-dihydro-1,3-oxazole (CID 102183101) is (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-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]-phenylmethyl]-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]-phenylmethyl]-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(C(C3=N[C@@H](Cc4ccccc4)CO3)c3ccccc3)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is AFIPCIJUYNUZTA-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-4-10-20(11-5-1)16-23-18-30-26(28-23)25(22-14-8-3-9-15-22)27-29-24(19-31-27)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19H2/t23-,24-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 410.52 g/mol, XLogP of 4.85, 7 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]-phenylmethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102183101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).