(4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole

C31H23N3O2 — CID 170899160

IUPAC(4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3cccc4cc5cccc(C6=N[C@@H](c7ccccc7)CO6)c5nc34)=N2)cc1
InChIInChI=1S/C31H23N3O2/c1-3-9-20(10-4-1)26-18-35-30(32-26)24-15-7-13-22-17-23-14-8-16-25(29(23)34-28(22)24)31-33-27(19-36-31)21-11-5-2-6-12-21/h1-17,26-27H,18-19H2/t26-,27-/m1/s1
InChIKeyCPMLUNQRNAZSRL-KAYWLYCHSA-N
MW469.54 g/mol
LogP6.42
Rot. Bonds4

About (4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 170899160) has the molecular formula C31H23N3O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole
PubChem CID170899160
Molecular FormulaC31H23N3O2
Molecular Weight469.54 g/mol
Exact Mass469.18
IUPAC Name(4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3cccc4cc5cccc(C6=N[C@@H](c7ccccc7)CO6)c5nc34)=N2)cc1
InChIInChI=1S/C31H23N3O2/c1-3-9-20(10-4-1)26-18-35-30(32-26)24-15-7-13-22-17-23-14-8-16-25(29(23)34-28(22)24)31-33-27(19-36-31)21-11-5-2-6-12-21/h1-17,26-27H,18-19H2/t26-,27-/m1/s1
InChIKeyCPMLUNQRNAZSRL-KAYWLYCHSA-N
XLogP6.42
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole (CID 170899160) is (4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(c3cccc4cc5cccc(C6=N[C@@H](c7ccccc7)CO6)c5nc34)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CPMLUNQRNAZSRL-KAYWLYCHSA-N. The full InChI is InChI=1S/C31H23N3O2/c1-3-9-20(10-4-1)26-18-35-30(32-26)24-15-7-13-22-17-23-14-8-16-25(29(23)34-28(22)24)31-33-27(19-36-31)21-11-5-2-6-12-21/h1-17,26-27H,18-19H2/t26-,27-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 469.54 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 170899160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).