4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole

C26H20N2O2 — CID 2735025

IUPAC4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole
SMILESCc1nc(-c2ccc(-c3nc(-c4ccccc4)c(C)o3)cc2)oc1-c1ccccc1
InChIInChI=1S/C26H20N2O2/c1-17-24(20-11-7-4-8-12-20)30-25(27-17)21-13-15-22(16-14-21)26-28-23(18(2)29-26)19-9-5-3-6-10-19/h3-16H,1-2H3
InChIKeyYDQGHILPIYZNFD-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.95
Rot. Bonds4

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

4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole (PubChem CID 2735025) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole
PubChem CID2735025
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole
SMILESCc1nc(-c2ccc(-c3nc(-c4ccccc4)c(C)o3)cc2)oc1-c1ccccc1
InChIInChI=1S/C26H20N2O2/c1-17-24(20-11-7-4-8-12-20)30-25(27-17)21-13-15-22(16-14-21)26-28-23(18(2)29-26)19-9-5-3-6-10-19/h3-16H,1-2H3
InChIKeyYDQGHILPIYZNFD-UHFFFAOYSA-N
XLogP6.95
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole (CID 2735025) is 4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole is Cc1nc(-c2ccc(-c3nc(-c4ccccc4)c(C)o3)cc2)oc1-c1ccccc1.
What is the InChIKey of 4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole?
The InChIKey is YDQGHILPIYZNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-17-24(20-11-7-4-8-12-20)30-25(27-17)21-13-15-22(16-14-21)26-28-23(18(2)29-26)19-9-5-3-6-10-19/h3-16H,1-2H3.
What are the key properties of 4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole?
4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole has a molecular weight of 392.46 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 2735025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).