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

C18H16FN3O4 — CID 135138355

IUPAC5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESCc1cc(OC2CC(Oc3cnc(-c4cc(=O)[nH]o4)cn3)C2)ccc1F
InChIInChI=1S/C18H16FN3O4/c1-10-4-11(2-3-14(10)19)24-12-5-13(6-12)25-18-9-20-15(8-21-18)16-7-17(23)22-26-16/h2-4,7-9,12-13H,5-6H2,1H3,(H,22,23)
InChIKeyBMIVYBDPEIKACK-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.86
Rot. Bonds5

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

5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (PubChem CID 135138355) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
PubChem CID135138355
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESCc1cc(OC2CC(Oc3cnc(-c4cc(=O)[nH]o4)cn3)C2)ccc1F
InChIInChI=1S/C18H16FN3O4/c1-10-4-11(2-3-14(10)19)24-12-5-13(6-12)25-18-9-20-15(8-21-18)16-7-17(23)22-26-16/h2-4,7-9,12-13H,5-6H2,1H3,(H,22,23)
InChIKeyBMIVYBDPEIKACK-UHFFFAOYSA-N
XLogP2.86
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.86
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-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (CID 135138355) is 5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is Cc1cc(OC2CC(Oc3cnc(-c4cc(=O)[nH]o4)cn3)C2)ccc1F.
What is the InChIKey of 5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The InChIKey is BMIVYBDPEIKACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-10-4-11(2-3-14(10)19)24-12-5-13(6-12)25-18-9-20-15(8-21-18)16-7-17(23)22-26-16/h2-4,7-9,12-13H,5-6H2,1H3,(H,22,23).
What are the key properties of 5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one has a molecular weight of 357.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(4-fluoro-3-methylphenoxy)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 135138355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).