2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole

C23H19NO2 — CID 162657968

IUPAC2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)co1
InChIInChI=1S/C23H19NO2/c1-17-24-23(16-25-17)21-9-7-19(8-10-21)20-11-13-22(14-12-20)26-15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3
InChIKeySKGSMZJQJAPEFO-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.90
Rot. Bonds5

About 2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole

2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole (PubChem CID 162657968) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole
PubChem CID162657968
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)co1
InChIInChI=1S/C23H19NO2/c1-17-24-23(16-25-17)21-9-7-19(8-10-21)20-11-13-22(14-12-20)26-15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3
InChIKeySKGSMZJQJAPEFO-UHFFFAOYSA-N
XLogP5.90
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole (CID 162657968) is 2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole is Cc1nc(-c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)co1.
What is the InChIKey of 2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole?
The InChIKey is SKGSMZJQJAPEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-17-24-23(16-25-17)21-9-7-19(8-10-21)20-11-13-22(14-12-20)26-15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3.
What are the key properties of 2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole?
2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole has a molecular weight of 341.41 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-phenylmethoxyphenyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 162657968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).