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

C36H32N6O2 — CID 135250587

IUPAC2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NC(C)(C)CO5)cn4)n3)nc2)=N1
InChIInChI=1S/C36H32N6O2/c1-35(2)21-43-33(41-35)26-14-16-28(37-19-26)31-18-30(25-12-10-24(11-13-25)23-8-6-5-7-9-23)39-32(40-31)29-17-15-27(20-38-29)34-42-36(3,4)22-44-34/h5-20H,21-22H2,1-4H3
InChIKeyNCIULQFIHVADHR-UHFFFAOYSA-N
MW580.69 g/mol
LogP7.05
Rot. Bonds6

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

2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250587) has the molecular formula C36H32N6O2 and a molecular weight of 580.69 g/mol. Its IUPAC name is 2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135250587
Molecular FormulaC36H32N6O2
Molecular Weight580.69 g/mol
Exact Mass580.26
IUPAC Name2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NC(C)(C)CO5)cn4)n3)nc2)=N1
InChIInChI=1S/C36H32N6O2/c1-35(2)21-43-33(41-35)26-14-16-28(37-19-26)31-18-30(25-12-10-24(11-13-25)23-8-6-5-7-9-23)39-32(40-31)29-17-15-27(20-38-29)34-42-36(3,4)22-44-34/h5-20H,21-22H2,1-4H3
InChIKeyNCIULQFIHVADHR-UHFFFAOYSA-N
XLogP7.05
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250587) is 2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NC(C)(C)CO5)cn4)n3)nc2)=N1.
What is the InChIKey of 2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is NCIULQFIHVADHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O2/c1-35(2)21-43-33(41-35)26-14-16-28(37-19-26)31-18-30(25-12-10-24(11-13-25)23-8-6-5-7-9-23)39-32(40-31)29-17-15-27(20-38-29)34-42-36(3,4)22-44-34/h5-20H,21-22H2,1-4H3.
What are the key properties of 2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 580.69 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).