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

C27H27N3O2 — CID 165437841

IUPAC(4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole
SMILESCC1(C)OC(c2cccc(C3=N[C@@H](c4ccccc4)C(C)(C)O3)n2)=N[C@H]1c1ccccc1
InChIInChI=1S/C27H27N3O2/c1-26(2)22(18-12-7-5-8-13-18)29-24(31-26)20-16-11-17-21(28-20)25-30-23(27(3,4)32-25)19-14-9-6-10-15-19/h5-17,22-23H,1-4H3/t22-,23-/m0/s1
InChIKeyLTKSYUVQHDAOSZ-GOTSBHOMSA-N
MW425.53 g/mol
LogP5.68
Rot. Bonds4

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

(4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole (PubChem CID 165437841) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is (4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole
PubChem CID165437841
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name(4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole
SMILESCC1(C)OC(c2cccc(C3=N[C@@H](c4ccccc4)C(C)(C)O3)n2)=N[C@H]1c1ccccc1
InChIInChI=1S/C27H27N3O2/c1-26(2)22(18-12-7-5-8-13-18)29-24(31-26)20-16-11-17-21(28-20)25-30-23(27(3,4)32-25)19-14-9-6-10-15-19/h5-17,22-23H,1-4H3/t22-,23-/m0/s1
InChIKeyLTKSYUVQHDAOSZ-GOTSBHOMSA-N
XLogP5.68
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
The IUPAC name of (4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole (CID 165437841) is (4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
The canonical SMILES for (4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole is CC1(C)OC(c2cccc(C3=N[C@@H](c4ccccc4)C(C)(C)O3)n2)=N[C@H]1c1ccccc1.
What is the InChIKey of (4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
The InChIKey is LTKSYUVQHDAOSZ-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-26(2)22(18-12-7-5-8-13-18)29-24(31-26)20-16-11-17-21(28-20)25-30-23(27(3,4)32-25)19-14-9-6-10-15-19/h5-17,22-23H,1-4H3/t22-,23-/m0/s1.
What are the key properties of (4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
(4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole has a molecular weight of 425.53 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[6-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 165437841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).