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

C16H14F3N3O3 — CID 155386784

IUPAC(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1COC(=O)N1Cc1cncc(-c2ccc(F)c(OC(F)F)c2)n1
InChIInChI=1S/C16H14F3N3O3/c1-9-8-24-16(23)22(9)7-11-5-20-6-13(21-11)10-2-3-12(17)14(4-10)25-15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m1/s1
InChIKeyBHBDFWUVPWLGOF-SECBINFHSA-N
MW353.30 g/mol
LogP3.22
Rot. Bonds5

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

(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 155386784) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID155386784
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1COC(=O)N1Cc1cncc(-c2ccc(F)c(OC(F)F)c2)n1
InChIInChI=1S/C16H14F3N3O3/c1-9-8-24-16(23)22(9)7-11-5-20-6-13(21-11)10-2-3-12(17)14(4-10)25-15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m1/s1
InChIKeyBHBDFWUVPWLGOF-SECBINFHSA-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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Related Compounds

3-{6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-3-pyridinyl}-1,3-oxazolidin-2-one
CID 10339677
(R)-3-((6-(2-fluoro-4-(trifluoromethoxy)phenyl)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591794
2-(3-Methoxyphenyl)-6-(5-methoxy-3-pyridinyl)pyrazine
CID 45488358
(S)-1-(6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 54582822
1-cyclopropyl-N-((6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl)methyl)methanamine
CID 54585736
8-[(4-Fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-4-methyl-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134805617
2-(3-Methoxy-phenyl)-pyrazine
CID 16740522
N-((6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl)methyl)cyclopropanamine
CID 54586717
1-Pyridin-4-yl-7-[[3-(trifluoromethoxy)phenyl]methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 134807272
6-[[6-[3-(Difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
CID 155386752
(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155386753
(4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155386755

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 155386784) is (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1COC(=O)N1Cc1cncc(-c2ccc(F)c(OC(F)F)c2)n1.
What is the InChIKey of (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is BHBDFWUVPWLGOF-SECBINFHSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-9-8-24-16(23)22(9)7-11-5-20-6-13(21-11)10-2-3-12(17)14(4-10)25-15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-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 (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).