2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole

C22H19NOS — CID 164668231

IUPAC2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole
SMILESCc1cc(C)c(-c2nc(-c3ccccc3)oc2-c2cccs2)c(C)c1
InChIInChI=1S/C22H19NOS/c1-14-12-15(2)19(16(3)13-14)20-21(18-10-7-11-25-18)24-22(23-20)17-8-5-4-6-9-17/h4-13H,1-3H3
InChIKeyJIXLLWDOSNOTLT-UHFFFAOYSA-N
MW345.47 g/mol
LogP6.66
Rot. Bonds3

About 2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole

2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole (PubChem CID 164668231) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole
PubChem CID164668231
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC Name2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole
SMILESCc1cc(C)c(-c2nc(-c3ccccc3)oc2-c2cccs2)c(C)c1
InChIInChI=1S/C22H19NOS/c1-14-12-15(2)19(16(3)13-14)20-21(18-10-7-11-25-18)24-22(23-20)17-8-5-4-6-9-17/h4-13H,1-3H3
InChIKeyJIXLLWDOSNOTLT-UHFFFAOYSA-N
XLogP6.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole?
The IUPAC name of 2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole (CID 164668231) is 2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole?
The canonical SMILES for 2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole is Cc1cc(C)c(-c2nc(-c3ccccc3)oc2-c2cccs2)c(C)c1.
What is the InChIKey of 2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole?
The InChIKey is JIXLLWDOSNOTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOS/c1-14-12-15(2)19(16(3)13-14)20-21(18-10-7-11-25-18)24-22(23-20)17-8-5-4-6-9-17/h4-13H,1-3H3.
What are the key properties of 2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole?
2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole has a molecular weight of 345.47 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-thiophen-2-yl-4-(2,4,6-trimethylphenyl)-1,3-oxazole is sourced from PubChem (CID 164668231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).