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

C21H19F2N3O3 — CID 135138366

IUPAC5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4ccc(C5CC(F)(F)C5)cc4)C3)cn2)o[nH]1
InChIInChI=1S/C21H19F2N3O3/c22-21(23)8-15(9-21)13-3-1-12(2-4-13)14-5-16(6-14)28-20-11-24-17(10-25-20)18-7-19(27)26-29-18/h1-4,7,10-11,14-16H,5-6,8-9H2,(H,26,27)
InChIKeyUCFBTYHOADZJJE-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.26
Rot. Bonds5

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

5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (PubChem CID 135138366) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is 5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
PubChem CID135138366
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4ccc(C5CC(F)(F)C5)cc4)C3)cn2)o[nH]1
InChIInChI=1S/C21H19F2N3O3/c22-21(23)8-15(9-21)13-3-1-12(2-4-13)14-5-16(6-14)28-20-11-24-17(10-25-20)18-7-19(27)26-29-18/h1-4,7,10-11,14-16H,5-6,8-9H2,(H,26,27)
InChIKeyUCFBTYHOADZJJE-UHFFFAOYSA-N
XLogP4.26
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-[3-Fluoro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135122257
5-[5-[3-[4-(Difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135124630
5-[5-[3-[4-(Trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135138305
5-[5-[3-[5-(Trifluoromethyl)pyridin-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135138325
5-[5-[3-[(4-Fluorophenyl)methoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135138348
5-[5-[3-[3-(Difluoromethoxy)-2-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135138350
5-[5-[3-[4-(Trifluoromethyl)phenoxy]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135138354
5-[5-[3-[(3Z,5Z)-5-(3,3-difluorocyclobutyl)hepta-1,3,5-trien-2-yl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135138357
(Z)-3-hydroxy-3-[5-[3-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutyl]oxypyrazin-2-yl]prop-2-enamide
CID 135138368
5-[5-[3-(5-Cyclopropyloxy-2-fluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135138763
5-[5-[3-(2,6-Difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135138796
5-[5-[3-(4-Chloro-3,5-difluorophenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135138797

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (CID 135138366) is 5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is O=c1cc(-c2cnc(OC3CC(c4ccc(C5CC(F)(F)C5)cc4)C3)cn2)o[nH]1.
What is the InChIKey of 5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The InChIKey is UCFBTYHOADZJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c22-21(23)8-15(9-21)13-3-1-12(2-4-13)14-5-16(6-14)28-20-11-24-17(10-25-20)18-7-19(27)26-29-18/h1-4,7,10-11,14-16H,5-6,8-9H2,(H,26,27).
What are the key properties of 5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one has a molecular weight of 399.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 135138366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).