3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one

C15H12F3N3O2 — CID 155386751

IUPAC3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1cncc(-c2ccc(F)c(C(F)F)c2)n1
InChIInChI=1S/C15H12F3N3O2/c16-12-2-1-9(5-11(12)14(17)18)13-7-19-6-10(20-13)8-21-3-4-23-15(21)22/h1-2,5-7,14H,3-4,8H2
InChIKeyXLEKQFXQIUWWBZ-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.17
Rot. Bonds4

About 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one

3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 155386751) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID155386751
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Name3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1cncc(-c2ccc(F)c(C(F)F)c2)n1
InChIInChI=1S/C15H12F3N3O2/c16-12-2-1-9(5-11(12)14(17)18)13-7-19-6-10(20-13)8-21-3-4-23-15(21)22/h1-2,5-7,14H,3-4,8H2
InChIKeyXLEKQFXQIUWWBZ-UHFFFAOYSA-N
XLogP3.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-3-((6-(3,4-difluorophenyl)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591796
(R)-3-((5-(3,4-difluorophenyl)pyridin-2-yl)methyl)-5-methyloxazolidin-2-one
CID 44591797
6-[[6-[3-(1,1-Difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
CID 155386750
(4S)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155386754
6-[[6-[3-(Difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
CID 155386759
6-[[6-[3-(Difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
CID 155386761
3-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one
CID 155386768
3-[[6-[3-(1,1-Difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one
CID 155386772
6-[[6-[3-(1,1-Difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
CID 155386773
(5S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 155386774
(4R)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155386776
(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 155386777

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one (CID 155386751) is 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1Cc1cncc(-c2ccc(F)c(C(F)F)c2)n1.
What is the InChIKey of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is XLEKQFXQIUWWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-12-2-1-9(5-11(12)14(17)18)13-7-19-6-10(20-13)8-21-3-4-23-15(21)22/h1-2,5-7,14H,3-4,8H2.
What are the key properties of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one?
3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 323.27 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).