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

C23H19N3O2 — CID 166067950

IUPAC(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(c3cncc(C4=N[C@H](c5ccccc5)CO4)c3)=N2)cc1
InChIInChI=1S/C23H19N3O2/c1-3-7-16(8-4-1)20-14-27-22(25-20)18-11-19(13-24-12-18)23-26-21(15-28-23)17-9-5-2-6-10-17/h1-13,20-21H,14-15H2/t20-,21-/m0/s1
InChIKeyTWQHNKPCTVYSHO-SFTDATJTSA-N
MW369.42 g/mol
LogP4.12
Rot. Bonds4

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

(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 166067950) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID166067950
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(c3cncc(C4=N[C@H](c5ccccc5)CO4)c3)=N2)cc1
InChIInChI=1S/C23H19N3O2/c1-3-7-16(8-4-1)20-14-27-22(25-20)18-11-19(13-24-12-18)23-26-21(15-28-23)17-9-5-2-6-10-17/h1-13,20-21H,14-15H2/t20-,21-/m0/s1
InChIKeyTWQHNKPCTVYSHO-SFTDATJTSA-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 ≤ 500369.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 166067950) is (4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole is c1ccc([C@@H]2COC(c3cncc(C4=N[C@H](c5ccccc5)CO4)c3)=N2)cc1.
What is the InChIKey of (4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is TWQHNKPCTVYSHO-SFTDATJTSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-3-7-16(8-4-1)20-14-27-22(25-20)18-11-19(13-24-12-18)23-26-21(15-28-23)17-9-5-2-6-10-17/h1-13,20-21H,14-15H2/t20-,21-/m0/s1.
What are the key properties of (4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 369.42 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 (4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 166067950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).