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

C16H14F3N3O2 — CID 155386853

IUPAC(4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1Cc1cncc(-c2ccc(F)c(C(F)F)c2)n1
InChIInChI=1S/C16H14F3N3O2/c1-9-8-24-16(23)22(9)7-11-5-20-6-14(21-11)10-2-3-13(17)12(4-10)15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m0/s1
InChIKeyVWBYIDAJHOHANQ-VIFPVBQESA-N
MW337.30 g/mol
LogP3.56
Rot. Bonds4

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

(4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 155386853) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is (4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID155386853
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name(4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1Cc1cncc(-c2ccc(F)c(C(F)F)c2)n1
InChIInChI=1S/C16H14F3N3O2/c1-9-8-24-16(23)22(9)7-11-5-20-6-14(21-11)10-2-3-13(17)12(4-10)15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m0/s1
InChIKeyVWBYIDAJHOHANQ-VIFPVBQESA-N
XLogP3.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 155386853) is (4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is C[C@H]1COC(=O)N1Cc1cncc(-c2ccc(F)c(C(F)F)c2)n1.
What is the InChIKey of (4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is VWBYIDAJHOHANQ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-9-8-24-16(23)22(9)7-11-5-20-6-14(21-11)10-2-3-13(17)12(4-10)15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 337.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).