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

C28H23N3O2 — CID 171317884

IUPAC(4S)-4-phenyl-2-[[3-[[(4S)-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(=CC2=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/t25-,26-/m1/s1
InChIKeyGBRKRIUSANJDJX-CLJLJLNGSA-N
MW433.51 g/mol
LogP4.07
Rot. Bonds4

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

(4S)-4-phenyl-2-[[3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 171317884) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[[3-[[(4S)-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(4S)-4-phenyl-2-[[3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID171317884
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name(4S)-4-phenyl-2-[[3-[[(4S)-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(=CC2=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/t25-,26-/m1/s1
InChIKeyGBRKRIUSANJDJX-CLJLJLNGSA-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 (4S)-4-phenyl-2-[[3-[[(4S)-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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Related Compounds

2-[(Z)-[(3Z)-5,6-dimethyl-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 155885294
(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
(4R)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 146013380
(4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 146013490
(4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 171156733
(4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
CID 11442483
(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 127262963
1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
2,3,4,5,6-pentafluoro-N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)ethenyl]aniline
CID 139985783
3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one
CID 15206016
CID 72964471
CID 72964471
(4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 175922726

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[[3-[[(4S)-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 (4S)-4-phenyl-2-[[3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (CID 171317884) is (4S)-4-phenyl-2-[[3-[[(4S)-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 (4S)-4-phenyl-2-[[3-[[(4S)-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 (4S)-4-phenyl-2-[[3-[[(4S)-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(=CC2=N[C@@H](c3ccccc3)CO2)c2ccccc12.
What is the InChIKey of (4S)-4-phenyl-2-[[3-[[(4S)-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-CLJLJLNGSA-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/t25-,26-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[[3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[[3-[[(4S)-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 (4S)-4-phenyl-2-[[3-[[(4S)-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 171317884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).