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

C25H23N3O2 — CID 10834631

IUPAC(4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1N=C(c2cccc(C3=N[C@@H](C)[C@H](c4ccccc4)O3)n2)O[C@H]1c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-16-22(18-10-5-3-6-11-18)29-24(26-16)20-14-9-15-21(28-20)25-27-17(2)23(30-25)19-12-7-4-8-13-19/h3-17,22-23H,1-2H3/t16-,17-,22+,23+/m0/s1
InChIKeyWAQJMWVRZVOTCH-ZCVTWQBDSA-N
MW397.48 g/mol
LogP4.89
Rot. Bonds4

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

(4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 10834631) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID10834631
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name(4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1N=C(c2cccc(C3=N[C@@H](C)[C@H](c4ccccc4)O3)n2)O[C@H]1c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-16-22(18-10-5-3-6-11-18)29-24(26-16)20-14-9-15-21(28-20)25-27-17(2)23(30-25)19-12-7-4-8-13-19/h3-17,22-23H,1-2H3/t16-,17-,22+,23+/m0/s1
InChIKeyWAQJMWVRZVOTCH-ZCVTWQBDSA-N
XLogP4.89
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole (CID 10834631) is (4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole is C[C@@H]1N=C(c2cccc(C3=N[C@@H](C)[C@H](c4ccccc4)O3)n2)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is WAQJMWVRZVOTCH-ZCVTWQBDSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-22(18-10-5-3-6-11-18)29-24(26-16)20-14-9-15-21(28-20)25-27-17(2)23(30-25)19-12-7-4-8-13-19/h3-17,22-23H,1-2H3/t16-,17-,22+,23+/m0/s1.
What are the key properties of (4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 397.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-2-[6-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10834631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).