5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

C18H16FN3O4 — CID 135138348

IUPAC5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(OCc4ccc(F)cc4)C3)cn2)o[nH]1
InChIInChI=1S/C18H16FN3O4/c19-12-3-1-11(2-4-12)10-24-13-5-14(6-13)25-18-9-20-15(8-21-18)16-7-17(23)22-26-16/h1-4,7-9,13-14H,5-6,10H2,(H,22,23)
InChIKeyUNORLYVFWJPHBL-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.69
Rot. Bonds6

About 5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (PubChem CID 135138348) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
PubChem CID135138348
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(OCc4ccc(F)cc4)C3)cn2)o[nH]1
InChIInChI=1S/C18H16FN3O4/c19-12-3-1-11(2-4-12)10-24-13-5-14(6-13)25-18-9-20-15(8-21-18)16-7-17(23)22-26-16/h1-4,7-9,13-14H,5-6,10H2,(H,22,23)
InChIKeyUNORLYVFWJPHBL-UHFFFAOYSA-N
XLogP2.69
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (CID 135138348) is 5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is O=c1cc(-c2cnc(OC3CC(OCc4ccc(F)cc4)C3)cn2)o[nH]1.
What is the InChIKey of 5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The InChIKey is UNORLYVFWJPHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c19-12-3-1-11(2-4-12)10-24-13-5-14(6-13)25-18-9-20-15(8-21-18)16-7-17(23)22-26-16/h1-4,7-9,13-14H,5-6,10H2,(H,22,23).
What are the key properties of 5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one has a molecular weight of 357.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[(4-fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 135138348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).