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

C16H14F3N3O2 — CID 155386860

IUPAC(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2cncc(-c3ccc(F)c(C(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C16H14F3N3O2/c1-9-7-22(16(23)24-9)8-11-5-20-6-14(21-11)10-2-3-13(17)12(4-10)15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m1/s1
InChIKeyBDIHREPQSBFVIU-SECBINFHSA-N
MW337.30 g/mol
LogP3.56
Rot. Bonds4

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

(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 155386860) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID155386860
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2cncc(-c3ccc(F)c(C(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C16H14F3N3O2/c1-9-7-22(16(23)24-9)8-11-5-20-6-14(21-11)10-2-3-13(17)12(4-10)15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m1/s1
InChIKeyBDIHREPQSBFVIU-SECBINFHSA-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

Analyze (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
CID 71656525
(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626128
(R)-3-((6-(3-chloro-4-fluorophenyl)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591795
N-{(S)-3-[3-Fluoro-4-((Z)-2-fluoro-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 10156178
(R)-5-methyl-3-(4-(pyridin-4-yl)benzyl)oxazolidin-2-one
CID 44591774
(R)-5-methyl-3-(4-(pyridin-3-yl)benzyl)oxazolidin-2-one
CID 44591792
(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
N-[[(5S)-3-[3-fluoro-4-[(E)-2-fluoro-2-pyridin-3-ylethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9947714
6-[[6-[3-(1,1-Difluoroethyl)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
CID 155386750
3-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one
CID 155386751
(4S)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155386754

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 155386860) is (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2cncc(-c3ccc(F)c(C(F)F)c3)n2)C(=O)O1.
What is the InChIKey of (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is BDIHREPQSBFVIU-SECBINFHSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-9-7-22(16(23)24-9)8-11-5-20-6-14(21-11)10-2-3-13(17)12(4-10)15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-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 (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).