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

C26H24N2O2 — CID 127262971

IUPAC(4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC(C2=N[C@@H](c3ccccc3)CO2)C2=N[C@@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C26H24N2O2/c1-4-10-19(11-5-1)16-22(25-27-23(17-29-25)20-12-6-2-7-13-20)26-28-24(18-30-26)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2/t23-,24-/m1/s1
InChIKeyKOUOFWFPCZWWOF-DNQXCXABSA-N
MW396.49 g/mol
LogP5.19
Rot. Bonds6

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

(4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 127262971) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole
PubChem CID127262971
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name(4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC(C2=N[C@@H](c3ccccc3)CO2)C2=N[C@@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C26H24N2O2/c1-4-10-19(11-5-1)16-22(25-27-23(17-29-25)20-12-6-2-7-13-20)26-28-24(18-30-26)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2/t23-,24-/m1/s1
InChIKeyKOUOFWFPCZWWOF-DNQXCXABSA-N
XLogP5.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole (CID 127262971) is (4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole is c1ccc(CC(C2=N[C@@H](c3ccccc3)CO2)C2=N[C@@H](c3ccccc3)CO2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is KOUOFWFPCZWWOF-DNQXCXABSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-4-10-19(11-5-1)16-22(25-27-23(17-29-25)20-12-6-2-7-13-20)26-28-24(18-30-26)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2/t23-,24-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 396.49 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 127262971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).