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

C26H30N2O2 — CID 24746422

IUPAC(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CCCCC3)=N2)cc1
InChIInChI=1S/C26H30N2O2/c1-4-10-20(11-5-1)16-22-18-29-24(27-22)26(14-8-3-9-15-26)25-28-23(19-30-25)17-21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2/t22-,23-/m0/s1
InChIKeyJPJXGGLYDTXDOC-GOTSBHOMSA-N
MW402.54 g/mol
LogP5.02
Rot. Bonds6

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

(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole (PubChem CID 24746422) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
PubChem CID24746422
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CCCCC3)=N2)cc1
InChIInChI=1S/C26H30N2O2/c1-4-10-20(11-5-1)16-22-18-29-24(27-22)26(14-8-3-9-15-26)25-28-23(19-30-25)17-21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2/t22-,23-/m0/s1
InChIKeyJPJXGGLYDTXDOC-GOTSBHOMSA-N
XLogP5.02
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.02
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-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole (CID 24746422) is (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CCCCC3)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is JPJXGGLYDTXDOC-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-4-10-20(11-5-1)16-22-18-29-24(27-22)26(14-8-3-9-15-26)25-28-23(19-30-25)17-21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2/t22-,23-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 402.54 g/mol, XLogP of 5.02, 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-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 24746422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).