(4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C40H31N3O2 — CID 102341490

IUPAC(4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESC(\C1=N[C@@H](c2ccccc2)CO1)=c1\[nH]/c(=C\C2=N[C@@H](c3ccccc3)CO2)c2cc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C40H31N3O2/c1-5-13-27(14-6-1)31-21-33-34(22-32(31)28-15-7-2-8-16-28)36(24-40-43-38(26-45-40)30-19-11-4-12-20-30)41-35(33)23-39-42-37(25-44-39)29-17-9-3-10-18-29/h1-24,37-38,41H,25-26H2/b35-23-,36-24-/t37-,38-/m1/s1
InChIKeyPUDFKCVQQCZGTC-HSTRXFPXSA-N
MW585.71 g/mol
LogP7.40
Rot. Bonds6

About (4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 102341490) has the molecular formula C40H31N3O2 and a molecular weight of 585.71 g/mol. Its IUPAC name is (4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID102341490
Molecular FormulaC40H31N3O2
Molecular Weight585.71 g/mol
Exact Mass585.24
IUPAC Name(4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESC(\C1=N[C@@H](c2ccccc2)CO1)=c1\[nH]/c(=C\C2=N[C@@H](c3ccccc3)CO2)c2cc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C40H31N3O2/c1-5-13-27(14-6-1)31-21-33-34(22-32(31)28-15-7-2-8-16-28)36(24-40-43-38(26-45-40)30-19-11-4-12-20-30)41-35(33)23-39-42-37(25-44-39)29-17-9-3-10-18-29/h1-24,37-38,41H,25-26H2/b35-23-,36-24-/t37-,38-/m1/s1
InChIKeyPUDFKCVQQCZGTC-HSTRXFPXSA-N
XLogP7.40
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-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)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 102341490) is (4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole is C(\C1=N[C@@H](c2ccccc2)CO1)=c1\[nH]/c(=C\C2=N[C@@H](c3ccccc3)CO2)c2cc(-c3ccccc3)c(-c3ccccc3)cc12.
What is the InChIKey of (4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PUDFKCVQQCZGTC-HSTRXFPXSA-N. The full InChI is InChI=1S/C40H31N3O2/c1-5-13-27(14-6-1)31-21-33-34(22-32(31)28-15-7-2-8-16-28)36(24-40-43-38(26-45-40)30-19-11-4-12-20-30)41-35(33)23-39-42-37(25-44-39)29-17-9-3-10-18-29/h1-24,37-38,41H,25-26H2/b35-23-,36-24-/t37-,38-/m1/s1.
What are the key properties of (4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 585.71 g/mol, XLogP of 7.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(Z)-[(3Z)-5,6-diphenyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102341490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).