(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

C23H15Cl4N3O2 — CID 165437847

IUPAC(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
SMILESClc1ccc([C@@H]2COC(c3cccc(C4=N[C@H](c5ccc(Cl)cc5Cl)CO4)n3)=N2)c(Cl)c1
InChIInChI=1S/C23H15Cl4N3O2/c24-12-4-6-14(16(26)8-12)20-10-31-22(29-20)18-2-1-3-19(28-18)23-30-21(11-32-23)15-7-5-13(25)9-17(15)27/h1-9,20-21H,10-11H2/t20-,21-/m0/s1
InChIKeyPWBBCWBCDCOPKX-SFTDATJTSA-N
MW507.20 g/mol
LogP6.73
Rot. Bonds4

About (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

(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 (PubChem CID 165437847) has the molecular formula C23H15Cl4N3O2 and a molecular weight of 507.20 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165437847
Molecular FormulaC23H15Cl4N3O2
Molecular Weight507.20 g/mol
Exact Mass504.99
IUPAC Name(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
SMILESClc1ccc([C@@H]2COC(c3cccc(C4=N[C@H](c5ccc(Cl)cc5Cl)CO4)n3)=N2)c(Cl)c1
InChIInChI=1S/C23H15Cl4N3O2/c24-12-4-6-14(16(26)8-12)20-10-31-22(29-20)18-2-1-3-19(28-18)23-30-21(11-32-23)15-7-5-13(25)9-17(15)27/h1-9,20-21H,10-11H2/t20-,21-/m0/s1
InChIKeyPWBBCWBCDCOPKX-SFTDATJTSA-N
XLogP6.73
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.20
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Clc1ccc([C@@H]2COC(c3cccc(C4=N[C@H](c5ccc(Cl)cc5Cl)CO4)n3)=N2)c(Cl)c1.
What is the InChIKey of (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?
The InChIKey is PWBBCWBCDCOPKX-SFTDATJTSA-N. The full InChI is InChI=1S/C23H15Cl4N3O2/c24-12-4-6-14(16(26)8-12)20-10-31-22(29-20)18-2-1-3-19(28-18)23-30-21(11-32-23)15-7-5-13(25)9-17(15)27/h1-9,20-21H,10-11H2/t20-,21-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 507.20 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 165437847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).