(4S)-2-[(Z)-[(3Z)-5,6-dimethyl-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

C30H27N3O2 — CID 57338007

IUPAC(4S)-2-[(Z)-[(3Z)-5,6-dimethyl-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
SMILESCc1cc2/c(=C/C3=N[C@@H](c4ccccc4)CO3)[nH]/c(=C\C3=N[C@@H](c4ccccc4)CO3)c2cc1C
InChIInChI=1S/C30H27N3O2/c1-19-13-23-24(14-20(19)2)26(16-30-33-28(18-35-30)22-11-7-4-8-12-22)31-25(23)15-29-32-27(17-34-29)21-9-5-3-6-10-21/h3-16,27-28,31H,17-18H2,1-2H3/b25-15-,26-16-/t27-,28-/m1/s1
InChIKeyHVYYLSOGQDOJQT-OIWCJDAFSA-N
MW461.57 g/mol
LogP4.69
Rot. Bonds4

About (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-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-dimethyl-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 57338007) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-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-dimethyl-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 CID57338007
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC Name(4S)-2-[(Z)-[(3Z)-5,6-dimethyl-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
SMILESCc1cc2/c(=C/C3=N[C@@H](c4ccccc4)CO3)[nH]/c(=C\C3=N[C@@H](c4ccccc4)CO3)c2cc1C
InChIInChI=1S/C30H27N3O2/c1-19-13-23-24(14-20(19)2)26(16-30-33-28(18-35-30)22-11-7-4-8-12-22)31-25(23)15-29-32-27(17-34-29)21-9-5-3-6-10-21/h3-16,27-28,31H,17-18H2,1-2H3/b25-15-,26-16-/t27-,28-/m1/s1
InChIKeyHVYYLSOGQDOJQT-OIWCJDAFSA-N
XLogP4.69
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-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

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Launch Full Analysis

Related Compounds

(1Z,3Z)-1,3-Bis(((R)-4-phenyl-4,5-dihydrooxazol-2-yl)methylene)isoindoline
CID 132549124
2,3,4,5,6-pentafluoro-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline
CID 139985819
(1Z,3Z)-1,3-Bis(((S)-4-phenyl-4,5-dihydrooxazol-2-yl)methylene)isoindoline
CID 56950124
(1Z,3Z)-1,3-Bis[[(4S)-4,5-dihydro-4-isopropyl-2-oxazolyl]methylene]-2,3-dihydro-5,6-dimethyl-1H-isoindole
CID 56950125
(1Z,3Z)-1,3-Bis(((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methylene)isoindoline
CID 134845590
copper;methanol;(4S)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole;acetate
CID 139120908
iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 162405834
(4S)-2-[(E)-[(3E)-5,6-dimethyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]inden-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 166446736
(4S)-2-[(Z)-[(3Z)-4,7-dimethyl-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]-2-benzofuran-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 168331359
cobalt(2+);methanidyl(trimethyl)silane;(4S)-4-phenyl-2-[(Z)-[(3Z)-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 176433670
4-Phenyl-2-[[3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 76445291
2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline
CID 139985734

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-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-dimethyl-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 57338007) is (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-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-dimethyl-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-dimethyl-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 Cc1cc2/c(=C/C3=N[C@@H](c4ccccc4)CO3)[nH]/c(=C\C3=N[C@@H](c4ccccc4)CO3)c2cc1C.
What is the InChIKey of (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-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 HVYYLSOGQDOJQT-OIWCJDAFSA-N. The full InChI is InChI=1S/C30H27N3O2/c1-19-13-23-24(14-20(19)2)26(16-30-33-28(18-35-30)22-11-7-4-8-12-22)31-25(23)15-29-32-27(17-34-29)21-9-5-3-6-10-21/h3-16,27-28,31H,17-18H2,1-2H3/b25-15-,26-16-/t27-,28-/m1/s1.
What are the key properties of (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-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-dimethyl-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 461.57 g/mol, XLogP of 4.69, 4 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-dimethyl-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 57338007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).