3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole

C16H13F3N4O2S — CID 157188242

IUPAC3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(OC3CC(c4nc(C(F)(F)F)cs4)C3)cn2)on1
InChIInChI=1S/C16H13F3N4O2S/c1-8-2-12(25-23-8)11-5-21-14(6-20-11)24-10-3-9(4-10)15-22-13(7-26-15)16(17,18)19/h2,5-7,9-10H,3-4H2,1H3
InChIKeyODQKVDZVXMIJNP-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.24
Rot. Bonds4

About 3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole

3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole (PubChem CID 157188242) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole
PubChem CID157188242
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(OC3CC(c4nc(C(F)(F)F)cs4)C3)cn2)on1
InChIInChI=1S/C16H13F3N4O2S/c1-8-2-12(25-23-8)11-5-21-14(6-20-11)24-10-3-9(4-10)15-22-13(7-26-15)16(17,18)19/h2,5-7,9-10H,3-4H2,1H3
InChIKeyODQKVDZVXMIJNP-UHFFFAOYSA-N
XLogP4.24
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole (CID 157188242) is 3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole is Cc1cc(-c2cnc(OC3CC(c4nc(C(F)(F)F)cs4)C3)cn2)on1.
What is the InChIKey of 3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
The InChIKey is ODQKVDZVXMIJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c1-8-2-12(25-23-8)11-5-21-14(6-20-11)24-10-3-9(4-10)15-22-13(7-26-15)16(17,18)19/h2,5-7,9-10H,3-4H2,1H3.
What are the key properties of 3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole has a molecular weight of 382.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole is sourced from PubChem (CID 157188242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).