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

C28H23N3O2 — CID 132549124

IUPAC(4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESC(\C1=N[C@H](c2ccccc2)CO1)=c1\[nH]/c(=C\C2=N[C@H](c3ccccc3)CO2)c2ccccc12
InChIInChI=1S/C28H23N3O2/c1-3-9-19(10-4-1)25-17-32-27(30-25)15-23-21-13-7-8-14-22(21)24(29-23)16-28-31-26(18-33-28)20-11-5-2-6-12-20/h1-16,25-26,29H,17-18H2/b23-15-,24-16-/t25-,26-/m0/s1
InChIKeyGBRKRIUSANJDJX-HQJCERPHSA-N
MW433.51 g/mol
LogP4.07
Rot. Bonds4

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

(4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 132549124) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID132549124
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name(4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESC(\C1=N[C@H](c2ccccc2)CO1)=c1\[nH]/c(=C\C2=N[C@H](c3ccccc3)CO2)c2ccccc12
InChIInChI=1S/C28H23N3O2/c1-3-9-19(10-4-1)25-17-32-27(30-25)15-23-21-13-7-8-14-22(21)24(29-23)16-28-31-26(18-33-28)20-11-5-2-6-12-20/h1-16,25-26,29H,17-18H2/b23-15-,24-16-/t25-,26-/m0/s1
InChIKeyGBRKRIUSANJDJX-HQJCERPHSA-N
XLogP4.07
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (CID 132549124) is (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole is C(\C1=N[C@H](c2ccccc2)CO1)=c1\[nH]/c(=C\C2=N[C@H](c3ccccc3)CO2)c2ccccc12.
What is the InChIKey of (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is GBRKRIUSANJDJX-HQJCERPHSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-3-9-19(10-4-1)25-17-32-27(30-25)15-23-21-13-7-8-14-22(21)24(29-23)16-28-31-26(18-33-28)20-11-5-2-6-12-20/h1-16,25-26,29H,17-18H2/b23-15-,24-16-/t25-,26-/m0/s1.
What are the key properties of (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 433.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132549124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).