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

C24H20N2O2 — CID 14868984

IUPAC(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3ccccc3C3=N[C@@H](c4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C24H20N2O2/c1-3-9-17(10-4-1)21-15-27-23(25-21)19-13-7-8-14-20(19)24-26-22(16-28-24)18-11-5-2-6-12-18/h1-14,21-22H,15-16H2/t21-,22-/m1/s1
InChIKeySIHZUGKNBGDXFF-FGZHOGPDSA-N
MW368.44 g/mol
LogP4.72
Rot. Bonds4

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

(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 14868984) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID14868984
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3ccccc3C3=N[C@@H](c4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C24H20N2O2/c1-3-9-17(10-4-1)21-15-27-23(25-21)19-13-7-8-14-20(19)24-26-22(16-28-24)18-11-5-2-6-12-18/h1-14,21-22H,15-16H2/t21-,22-/m1/s1
InChIKeySIHZUGKNBGDXFF-FGZHOGPDSA-N
XLogP4.72
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.72
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-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (CID 14868984) is (4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(c3ccccc3C3=N[C@@H](c4ccccc4)CO3)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is SIHZUGKNBGDXFF-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-3-9-17(10-4-1)21-15-27-23(25-21)19-13-7-8-14-20(19)24-26-22(16-28-24)18-11-5-2-6-12-18/h1-14,21-22H,15-16H2/t21-,22-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 368.44 g/mol, XLogP of 4.72, 4 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-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14868984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).