(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

C31H28N2O2 — CID 166446736

IUPAC(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
SMILESCc1cc2c(cc1C)/C(=C/C1=N[C@@H](c3ccccc3)CO1)C/C2=C\C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C31H28N2O2/c1-20-13-26-24(16-30-32-28(18-34-30)22-9-5-3-6-10-22)15-25(27(26)14-21(20)2)17-31-33-29(19-35-31)23-11-7-4-8-12-23/h3-14,16-17,28-29H,15,18-19H2,1-2H3/b24-16+,25-17+/t28-,29-/m1/s1
InChIKeyYDRXJAJXFYZHHO-BMCDVJGYSA-N
MW460.58 g/mol
LogP6.81
Rot. Bonds4

About (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

(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 (PubChem CID 166446736) has the molecular formula C31H28N2O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166446736
Molecular FormulaC31H28N2O2
Molecular Weight460.58 g/mol
Exact Mass460.22
IUPAC Name(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
SMILESCc1cc2c(cc1C)/C(=C/C1=N[C@@H](c3ccccc3)CO1)C/C2=C\C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C31H28N2O2/c1-20-13-26-24(16-30-32-28(18-34-30)22-9-5-3-6-10-22)15-25(27(26)14-21(20)2)17-31-33-29(19-35-31)23-11-7-4-8-12-23/h3-14,16-17,28-29H,15,18-19H2,1-2H3/b24-16+,25-17+/t28-,29-/m1/s1
InChIKeyYDRXJAJXFYZHHO-BMCDVJGYSA-N
XLogP6.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc2c(cc1C)/C(=C/C1=N[C@@H](c3ccccc3)CO1)C/C2=C\C1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (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?
The InChIKey is YDRXJAJXFYZHHO-BMCDVJGYSA-N. The full InChI is InChI=1S/C31H28N2O2/c1-20-13-26-24(16-30-32-28(18-34-30)22-9-5-3-6-10-22)15-25(27(26)14-21(20)2)17-31-33-29(19-35-31)23-11-7-4-8-12-23/h3-14,16-17,28-29H,15,18-19H2,1-2H3/b24-16+,25-17+/t28-,29-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 460.58 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166446736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).