(4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole

C23H19N3O2 — CID 101355290

IUPAC(4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole
SMILES[2H]C1([2H])OC(c2cccc(C3=N[C@@H](c4ccccc4)C([2H])([2H])O3)n2)=N[C@H]1c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1/i14D2,15D2
InChIKeyHLHBIMJNCKZZQO-SXYCKDCLSA-N
MW373.45 g/mol
LogP4.12
Rot. Bonds4

About (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole

(4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole (PubChem CID 101355290) has the molecular formula C23H19N3O2 and a molecular weight of 373.45 g/mol. Its IUPAC name is (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole
PubChem CID101355290
Molecular FormulaC23H19N3O2
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole
SMILES[2H]C1([2H])OC(c2cccc(C3=N[C@@H](c4ccccc4)C([2H])([2H])O3)n2)=N[C@H]1c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1/i14D2,15D2
InChIKeyHLHBIMJNCKZZQO-SXYCKDCLSA-N
XLogP4.12
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine
CID 102182088
2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]phenol
CID 137086219
6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
CID 100993952
copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate
CID 11274257
(4R)-2-[4-chloro-6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101488940
(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol
CID 10568003
2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 154729036
[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate
CID 100997915
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 176902875
(4R)-4-(2,4-dichlorophenyl)-2-[6-[(4R)-4-(2,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 165437847
(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole
CID 170898983

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole?
The IUPAC name of (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole (CID 101355290) is (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole?
The canonical SMILES for (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole is [2H]C1([2H])OC(c2cccc(C3=N[C@@H](c4ccccc4)C([2H])([2H])O3)n2)=N[C@H]1c1ccccc1.
What is the InChIKey of (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole?
The InChIKey is HLHBIMJNCKZZQO-SXYCKDCLSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1/i14D2,15D2.
What are the key properties of (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole?
(4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole has a molecular weight of 373.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 101355290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).