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

C17H16F3N3O3 — CID 155386781

IUPAC(5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc(F)c(OC(F)F)c2)nc1CN1C[C@@H](C)OC1=O
InChIInChI=1S/C17H16F3N3O3/c1-9-7-23(17(24)25-9)8-14-10(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
InChIKeyNKWLWBQEQSQEQT-SECBINFHSA-N
MW367.33 g/mol
LogP3.53
Rot. Bonds5

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

(5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 155386781) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is (5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID155386781
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name(5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc(F)c(OC(F)F)c2)nc1CN1C[C@@H](C)OC1=O
InChIInChI=1S/C17H16F3N3O3/c1-9-7-23(17(24)25-9)8-14-10(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
InChIKeyNKWLWBQEQSQEQT-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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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 155386781) is (5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one is Cc1ncc(-c2ccc(F)c(OC(F)F)c2)nc1CN1C[C@@H](C)OC1=O.
What is the InChIKey of (5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is NKWLWBQEQSQEQT-SECBINFHSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-9-7-23(17(24)25-9)8-14-10(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 (5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-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 (5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).