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

C17H16F3N3O3 — CID 155386753

IUPAC(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc(F)c(OC(F)F)c2)nc1CN1C(=O)OC[C@H]1C
InChIInChI=1S/C17H16F3N3O3/c1-9-8-25-17(24)23(9)7-14-10(2)21-6-13(22-14)11-3-4-12(18)15(5-11)26-16(19)20/h3-6,9,16H,7-8H2,1-2H3/t9-/m1/s1
InChIKeySDRFOGCMLSEYJR-SECBINFHSA-N
MW367.33 g/mol
LogP3.53
Rot. Bonds5

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

(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 155386753) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID155386753
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc(F)c(OC(F)F)c2)nc1CN1C(=O)OC[C@H]1C
InChIInChI=1S/C17H16F3N3O3/c1-9-8-25-17(24)23(9)7-14-10(2)21-6-13(22-14)11-3-4-12(18)15(5-11)26-16(19)20/h3-6,9,16H,7-8H2,1-2H3/t9-/m1/s1
InChIKeySDRFOGCMLSEYJR-SECBINFHSA-N
XLogP3.53
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.53
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
(5R)-3-((6-(1-cyclohexylethoxy)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591712
(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
N-((6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)methyl)-2-methoxyethanamine
CID 54584775
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
US11129827, Example 76
CID 139318507
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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 155386753) is (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is Cc1ncc(-c2ccc(F)c(OC(F)F)c2)nc1CN1C(=O)OC[C@H]1C.
What is the InChIKey of (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is SDRFOGCMLSEYJR-SECBINFHSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-9-8-25-17(24)23(9)7-14-10(2)21-6-13(22-14)11-3-4-12(18)15(5-11)26-16(19)20/h3-6,9,16H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 367.33 g/mol, XLogP of 3.53, 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]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).