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

C19H10Cl2F3N3OS — CID 2747343

IUPAC3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1-c1csc(-c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C19H10Cl2F3N3OS/c1-9-15(17(27-28-9)16-12(20)3-2-4-13(16)21)14-8-29-18(26-14)10-7-25-6-5-11(10)19(22,23)24/h2-8H,1H3
InChIKeyXWQWEONOBRCRRU-UHFFFAOYSA-N
MW456.28 g/mol
LogP7.16
Rot. Bonds3

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

3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole (PubChem CID 2747343) has the molecular formula C19H10Cl2F3N3OS and a molecular weight of 456.28 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole
PubChem CID2747343
Molecular FormulaC19H10Cl2F3N3OS
Molecular Weight456.28 g/mol
Exact Mass454.99
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1-c1csc(-c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C19H10Cl2F3N3OS/c1-9-15(17(27-28-9)16-12(20)3-2-4-13(16)21)14-8-29-18(26-14)10-7-25-6-5-11(10)19(22,23)24/h2-8H,1H3
InChIKeyXWQWEONOBRCRRU-UHFFFAOYSA-N
XLogP7.16
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.28
LogP ≤ 57.16
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-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole (CID 2747343) is 3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole is Cc1onc(-c2c(Cl)cccc2Cl)c1-c1csc(-c2cnccc2C(F)(F)F)n1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The InChIKey is XWQWEONOBRCRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F3N3OS/c1-9-15(17(27-28-9)16-12(20)3-2-4-13(16)21)14-8-29-18(26-14)10-7-25-6-5-11(10)19(22,23)24/h2-8H,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole?
3-(2,6-dichlorophenyl)-5-methyl-4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole has a molecular weight of 456.28 g/mol, XLogP of 7.16, 3 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-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 2747343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).