(4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C23H17F2N3O2 — CID 165437843

IUPAC(4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFc1ccc([C@H]2COC(c3cccc(C4=N[C@@H](c5ccc(F)cc5)CO4)n3)=N2)cc1
InChIInChI=1S/C23H17F2N3O2/c24-16-8-4-14(5-9-16)20-12-29-22(27-20)18-2-1-3-19(26-18)23-28-21(13-30-23)15-6-10-17(25)11-7-15/h1-11,20-21H,12-13H2/t20-,21-/m1/s1
InChIKeyDQMYDFIDPCXGGD-NHCUHLMSSA-N
MW405.40 g/mol
LogP4.40
Rot. Bonds4

About (4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

(4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 165437843) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID165437843
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name(4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFc1ccc([C@H]2COC(c3cccc(C4=N[C@@H](c5ccc(F)cc5)CO4)n3)=N2)cc1
InChIInChI=1S/C23H17F2N3O2/c24-16-8-4-14(5-9-16)20-12-29-22(27-20)18-2-1-3-19(26-18)23-28-21(13-30-23)15-6-10-17(25)11-7-15/h1-11,20-21H,12-13H2/t20-,21-/m1/s1
InChIKeyDQMYDFIDPCXGGD-NHCUHLMSSA-N
XLogP4.40
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 165437843) is (4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is Fc1ccc([C@H]2COC(c3cccc(C4=N[C@@H](c5ccc(F)cc5)CO4)n3)=N2)cc1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DQMYDFIDPCXGGD-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c24-16-8-4-14(5-9-16)20-12-29-22(27-20)18-2-1-3-19(26-18)23-28-21(13-30-23)15-6-10-17(25)11-7-15/h1-11,20-21H,12-13H2/t20-,21-/m1/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 405.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-2-[6-[(4S)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 165437843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).