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

C17H16F3N3O2 — CID 155386777

IUPAC(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc(F)c(C(F)F)c2)nc1CN1C[C@@H](C)OC1=O
InChIInChI=1S/C17H16F3N3O2/c1-9-7-23(17(24)25-9)8-15-10(2)21-6-14(22-15)11-3-4-13(18)12(5-11)16(19)20/h3-6,9,16H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyFABLWHASOJDQPL-SECBINFHSA-N
MW351.33 g/mol
LogP3.87
Rot. Bonds4

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

(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 155386777) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID155386777
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc(F)c(C(F)F)c2)nc1CN1C[C@@H](C)OC1=O
InChIInChI=1S/C17H16F3N3O2/c1-9-7-23(17(24)25-9)8-15-10(2)21-6-14(22-15)11-3-4-13(18)12(5-11)16(19)20/h3-6,9,16H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyFABLWHASOJDQPL-SECBINFHSA-N
XLogP3.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 155386777) is (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one is Cc1ncc(-c2ccc(F)c(C(F)F)c2)nc1CN1C[C@@H](C)OC1=O.
What is the InChIKey of (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is FABLWHASOJDQPL-SECBINFHSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-9-7-23(17(24)25-9)8-15-10(2)21-6-14(22-15)11-3-4-13(18)12(5-11)16(19)20/h3-6,9,16H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 351.33 g/mol, XLogP of 3.87, 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]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).