(5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one

C17H17F2N3O2 — CID 155386851

IUPAC(5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(Cc2cncc(-c3cccc(C(C)(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C17H17F2N3O2/c1-11-9-22(16(23)24-11)10-14-7-20-8-15(21-14)12-4-3-5-13(6-12)17(2,18)19/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyUJNMJERYEYGLSD-NSHDSACASA-N
MW333.34 g/mol
LogP3.60
Rot. Bonds4

About (5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 155386851) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is (5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID155386851
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name(5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(Cc2cncc(-c3cccc(C(C)(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C17H17F2N3O2/c1-11-9-22(16(23)24-11)10-14-7-20-8-15(21-14)12-4-3-5-13(6-12)17(2,18)19/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyUJNMJERYEYGLSD-NSHDSACASA-N
XLogP3.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 155386851) is (5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@H]1CN(Cc2cncc(-c3cccc(C(C)(F)F)c3)n2)C(=O)O1.
What is the InChIKey of (5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is UJNMJERYEYGLSD-NSHDSACASA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-11-9-22(16(23)24-11)10-14-7-20-8-15(21-14)12-4-3-5-13(6-12)17(2,18)19/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 333.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).