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

C34H32N2O2 — CID 135250518

IUPAC2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(C5=NC(C)(C)CO5)cc4)c3)cc2)=N1
InChIInChI=1S/C34H32N2O2/c1-33(2)21-37-31(35-33)26-14-10-24(11-15-26)29-18-28(23-8-6-5-7-9-23)19-30(20-29)25-12-16-27(17-13-25)32-36-34(3,4)22-38-32/h5-20H,21-22H2,1-4H3
InChIKeyMRFQQHKPJXBRKH-UHFFFAOYSA-N
MW500.64 g/mol
LogP7.80
Rot. Bonds5

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

2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250518) has the molecular formula C34H32N2O2 and a molecular weight of 500.64 g/mol. Its IUPAC name is 2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135250518
Molecular FormulaC34H32N2O2
Molecular Weight500.64 g/mol
Exact Mass500.25
IUPAC Name2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(C5=NC(C)(C)CO5)cc4)c3)cc2)=N1
InChIInChI=1S/C34H32N2O2/c1-33(2)21-37-31(35-33)26-14-10-24(11-15-26)29-18-28(23-8-6-5-7-9-23)19-30(20-29)25-12-16-27(17-13-25)32-36-34(3,4)22-38-32/h5-20H,21-22H2,1-4H3
InChIKeyMRFQQHKPJXBRKH-UHFFFAOYSA-N
XLogP7.80
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250518) is 2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(C5=NC(C)(C)CO5)cc4)c3)cc2)=N1.
What is the InChIKey of 2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is MRFQQHKPJXBRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O2/c1-33(2)21-37-31(35-33)26-14-10-24(11-15-26)29-18-28(23-8-6-5-7-9-23)19-30(20-29)25-12-16-27(17-13-25)32-36-34(3,4)22-38-32/h5-20H,21-22H2,1-4H3.
What are the key properties of 2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 500.64 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).