4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole

C23H22N2OS — CID 2745599

IUPAC4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C23H22N2OS/c1-15-20(21(25-26-15)16-8-6-5-7-9-16)19-14-27-22(24-19)17-10-12-18(13-11-17)23(2,3)4/h5-14H,1-4H3
InChIKeyVUXYBNNMPUHQPU-UHFFFAOYSA-N
MW374.51 g/mol
LogP6.74
Rot. Bonds3

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

4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 2745599) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
PubChem CID2745599
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC Name4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C23H22N2OS/c1-15-20(21(25-26-15)16-8-6-5-7-9-16)19-14-27-22(24-19)17-10-12-18(13-11-17)23(2,3)4/h5-14H,1-4H3
InChIKeyVUXYBNNMPUHQPU-UHFFFAOYSA-N
XLogP6.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole (CID 2745599) is 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1csc(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is VUXYBNNMPUHQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-15-20(21(25-26-15)16-8-6-5-7-9-16)19-14-27-22(24-19)17-10-12-18(13-11-17)23(2,3)4/h5-14H,1-4H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 374.51 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2745599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).