3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole

C24H13Cl2F3N2OS2 — CID 2740215

IUPAC3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1-c1nc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)cs1
InChIInChI=1S/C24H13Cl2F3N2OS2/c1-12-19(21(31-32-12)20-15(25)8-5-9-16(20)26)23-30-17(11-33-23)18-10-14(13-6-3-2-4-7-13)22(34-18)24(27,28)29/h2-11H,1H3
InChIKeyCXSNXFZKAHVQRY-UHFFFAOYSA-N
MW537.42 g/mol
LogP9.49
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole

3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2740215) has the molecular formula C24H13Cl2F3N2OS2 and a molecular weight of 537.42 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2740215
Molecular FormulaC24H13Cl2F3N2OS2
Molecular Weight537.42 g/mol
Exact Mass535.98
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1-c1nc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)cs1
InChIInChI=1S/C24H13Cl2F3N2OS2/c1-12-19(21(31-32-12)20-15(25)8-5-9-16(20)26)23-30-17(11-33-23)18-10-14(13-6-3-2-4-7-13)22(34-18)24(27,28)29/h2-11H,1H3
InChIKeyCXSNXFZKAHVQRY-UHFFFAOYSA-N
XLogP9.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.42
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole (CID 2740215) is 3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole is Cc1onc(-c2c(Cl)cccc2Cl)c1-c1nc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)cs1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is CXSNXFZKAHVQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2F3N2OS2/c1-12-19(21(31-32-12)20-15(25)8-5-9-16(20)26)23-30-17(11-33-23)18-10-14(13-6-3-2-4-7-13)22(34-18)24(27,28)29/h2-11H,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 537.42 g/mol, XLogP of 9.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2740215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).