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

C30H27N3O2 — CID 155885294

IUPAC2-[(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
SMILESCc1cc2/c(=C/C3=NC(c4ccccc4)CO3)[nH]/c(=C\C3=NC(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-
InChIKeyHVYYLSOGQDOJQT-YXHOTNNGSA-N
MW461.57 g/mol
LogP4.69
Rot. Bonds4

About 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

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 (PubChem CID 155885294) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID155885294
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC Name2-[(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
SMILESCc1cc2/c(=C/C3=NC(c4ccccc4)CO3)[nH]/c(=C\C3=NC(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-
InChIKeyHVYYLSOGQDOJQT-YXHOTNNGSA-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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2/c(=C/C3=NC(c4ccccc4)CO3)[nH]/c(=C\C3=NC(c4ccccc4)CO3)c2cc1C.
What is the InChIKey of 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?
The InChIKey is HVYYLSOGQDOJQT-YXHOTNNGSA-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-.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 155885294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).