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

C40H32N2O2 — CID 15941166

IUPAC(4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3ccc4ccccc4c3-c3c(C4=N[C@@H](Cc5ccccc5)CO4)ccc4ccccc34)=N2)cc1
InChIInChI=1S/C40H32N2O2/c1-3-11-27(12-4-1)23-31-25-43-39(41-31)35-21-19-29-15-7-9-17-33(29)37(35)38-34-18-10-8-16-30(34)20-22-36(38)40-42-32(26-44-40)24-28-13-5-2-6-14-28/h1-22,31-32H,23-26H2/t31-,32-/m0/s1
InChIKeyRKEBRCLYJPUMKP-ACHIHNKUSA-N
MW572.71 g/mol
LogP8.44
Rot. Bonds7

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

(4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 15941166) has the molecular formula C40H32N2O2 and a molecular weight of 572.71 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID15941166
Molecular FormulaC40H32N2O2
Molecular Weight572.71 g/mol
Exact Mass572.25
IUPAC Name(4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3ccc4ccccc4c3-c3c(C4=N[C@@H](Cc5ccccc5)CO4)ccc4ccccc34)=N2)cc1
InChIInChI=1S/C40H32N2O2/c1-3-11-27(12-4-1)23-31-25-43-39(41-31)35-21-19-29-15-7-9-17-33(29)37(35)38-34-18-10-8-16-30(34)20-22-36(38)40-42-32(26-44-40)24-28-13-5-2-6-14-28/h1-22,31-32H,23-26H2/t31-,32-/m0/s1
InChIKeyRKEBRCLYJPUMKP-ACHIHNKUSA-N
XLogP8.44
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole (CID 15941166) is (4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(c3ccc4ccccc4c3-c3c(C4=N[C@@H](Cc5ccccc5)CO4)ccc4ccccc34)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RKEBRCLYJPUMKP-ACHIHNKUSA-N. The full InChI is InChI=1S/C40H32N2O2/c1-3-11-27(12-4-1)23-31-25-43-39(41-31)35-21-19-29-15-7-9-17-33(29)37(35)38-34-18-10-8-16-30(34)20-22-36(38)40-42-32(26-44-40)24-28-13-5-2-6-14-28/h1-22,31-32H,23-26H2/t31-,32-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 572.71 g/mol, XLogP of 8.44, 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-[1-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15941166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).