2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole

C15H12FN3OS — CID 167798788

IUPAC2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole
SMILESFc1cncc(-c2csc(-c3coc(C4CCC4)n3)n2)c1
InChIInChI=1S/C15H12FN3OS/c16-11-4-10(5-17-6-11)13-8-21-15(19-13)12-7-20-14(18-12)9-2-1-3-9/h4-9H,1-3H2
InChIKeyGUJXLZOVAXVXNV-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.27
Rot. Bonds3

About 2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole

2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole (PubChem CID 167798788) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole
PubChem CID167798788
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole
SMILESFc1cncc(-c2csc(-c3coc(C4CCC4)n3)n2)c1
InChIInChI=1S/C15H12FN3OS/c16-11-4-10(5-17-6-11)13-8-21-15(19-13)12-7-20-14(18-12)9-2-1-3-9/h4-9H,1-3H2
InChIKeyGUJXLZOVAXVXNV-UHFFFAOYSA-N
XLogP4.27
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole (CID 167798788) is 2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole is Fc1cncc(-c2csc(-c3coc(C4CCC4)n3)n2)c1.
What is the InChIKey of 2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole?
The InChIKey is GUJXLZOVAXVXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-11-4-10(5-17-6-11)13-8-21-15(19-13)12-7-20-14(18-12)9-2-1-3-9/h4-9H,1-3H2.
What are the key properties of 2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole?
2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole has a molecular weight of 301.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 167798788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).