5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

C20H18FN3O4 — CID 135138763

IUPAC5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4cc(OC5CC5)ccc4F)C3)cn2)o[nH]1
InChIInChI=1S/C20H18FN3O4/c21-16-4-3-13(26-12-1-2-12)7-15(16)11-5-14(6-11)27-20-10-22-17(9-23-20)18-8-19(25)24-28-18/h3-4,7-12,14H,1-2,5-6H2,(H,24,25)
InChIKeyCWFQJXDUUCRJET-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.43
Rot. Bonds6

About 5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (PubChem CID 135138763) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
PubChem CID135138763
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4cc(OC5CC5)ccc4F)C3)cn2)o[nH]1
InChIInChI=1S/C20H18FN3O4/c21-16-4-3-13(26-12-1-2-12)7-15(16)11-5-14(6-11)27-20-10-22-17(9-23-20)18-8-19(25)24-28-18/h3-4,7-12,14H,1-2,5-6H2,(H,24,25)
InChIKeyCWFQJXDUUCRJET-UHFFFAOYSA-N
XLogP3.43
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (CID 135138763) is 5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is O=c1cc(-c2cnc(OC3CC(c4cc(OC5CC5)ccc4F)C3)cn2)o[nH]1.
What is the InChIKey of 5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The InChIKey is CWFQJXDUUCRJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c21-16-4-3-13(26-12-1-2-12)7-15(16)11-5-14(6-11)27-20-10-22-17(9-23-20)18-8-19(25)24-28-18/h3-4,7-12,14H,1-2,5-6H2,(H,24,25).
What are the key properties of 5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one has a molecular weight of 383.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(5-cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 135138763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).