(5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one

C16H14F3N3O3 — CID 155386780

IUPAC(5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(Cc2cncc(-c3ccc(F)c(OC(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C16H14F3N3O3/c1-9-7-22(16(23)24-9)8-11-5-20-6-13(21-11)10-2-3-12(17)14(4-10)25-15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m0/s1
InChIKeyYTMYFHIXMXDDNC-VIFPVBQESA-N
MW353.30 g/mol
LogP3.22
Rot. Bonds5

About (5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 155386780) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is (5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID155386780
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name(5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(Cc2cncc(-c3ccc(F)c(OC(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C16H14F3N3O3/c1-9-7-22(16(23)24-9)8-11-5-20-6-13(21-11)10-2-3-12(17)14(4-10)25-15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m0/s1
InChIKeyYTMYFHIXMXDDNC-VIFPVBQESA-N
XLogP3.22
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 155386780) is (5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@H]1CN(Cc2cncc(-c3ccc(F)c(OC(F)F)c3)n2)C(=O)O1.
What is the InChIKey of (5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is YTMYFHIXMXDDNC-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-9-7-22(16(23)24-9)8-11-5-20-6-13(21-11)10-2-3-12(17)14(4-10)25-15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 353.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).