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

C38H34N4O2 — CID 135250594

IUPAC2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)=N1
InChIInChI=1S/C38H34N4O2/c1-37(2)23-43-35(41-37)30-18-12-27(13-19-30)32-22-33(28-14-20-31(21-15-28)36-42-38(3,4)24-44-36)40-34(39-32)29-16-10-26(11-17-29)25-8-6-5-7-9-25/h5-22H,23-24H2,1-4H3
InChIKeyMHQBILJCEJNMOY-UHFFFAOYSA-N
MW578.72 g/mol
LogP8.26
Rot. Bonds6

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

2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250594) has the molecular formula C38H34N4O2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135250594
Molecular FormulaC38H34N4O2
Molecular Weight578.72 g/mol
Exact Mass578.27
IUPAC Name2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)=N1
InChIInChI=1S/C38H34N4O2/c1-37(2)23-43-35(41-37)30-18-12-27(13-19-30)32-22-33(28-14-20-31(21-15-28)36-42-38(3,4)24-44-36)40-34(39-32)29-16-10-26(11-17-29)25-8-6-5-7-9-25/h5-22H,23-24H2,1-4H3
InChIKeyMHQBILJCEJNMOY-UHFFFAOYSA-N
XLogP8.26
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250594) is 2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)=N1.
What is the InChIKey of 2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is MHQBILJCEJNMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O2/c1-37(2)23-43-35(41-37)30-18-12-27(13-19-30)32-22-33(28-14-20-31(21-15-28)36-42-38(3,4)24-44-36)40-34(39-32)29-16-10-26(11-17-29)25-8-6-5-7-9-25/h5-22H,23-24H2,1-4H3.
What are the key properties of 2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 578.72 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).