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

C31H29N5O2 — CID 135250531

IUPAC2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(C5=NC(C)(C)CO5)nc4)n3)cn2)=N1
InChIInChI=1S/C31H29N5O2/c1-30(2)18-37-28(35-30)24-12-10-21(16-32-24)26-14-23(20-8-6-5-7-9-20)15-27(34-26)22-11-13-25(33-17-22)29-36-31(3,4)19-38-29/h5-17H,18-19H2,1-4H3
InChIKeyUVEJRRAPZYKXED-UHFFFAOYSA-N
MW503.61 g/mol
LogP5.98
Rot. Bonds5

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

2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250531) has the molecular formula C31H29N5O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135250531
Molecular FormulaC31H29N5O2
Molecular Weight503.61 g/mol
Exact Mass503.23
IUPAC Name2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(C5=NC(C)(C)CO5)nc4)n3)cn2)=N1
InChIInChI=1S/C31H29N5O2/c1-30(2)18-37-28(35-30)24-12-10-21(16-32-24)26-14-23(20-8-6-5-7-9-20)15-27(34-26)22-11-13-25(33-17-22)29-36-31(3,4)19-38-29/h5-17H,18-19H2,1-4H3
InChIKeyUVEJRRAPZYKXED-UHFFFAOYSA-N
XLogP5.98
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250531) is 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(C5=NC(C)(C)CO5)nc4)n3)cn2)=N1.
What is the InChIKey of 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is UVEJRRAPZYKXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O2/c1-30(2)18-37-28(35-30)24-12-10-21(16-32-24)26-14-23(20-8-6-5-7-9-20)15-27(34-26)22-11-13-25(33-17-22)29-36-31(3,4)19-38-29/h5-17H,18-19H2,1-4H3.
What are the key properties of 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 503.61 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).