(4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one

C18H17F3N2O4 — CID 155385648

IUPAC(4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ncc(-c2ccc(F)c(OC(F)F)c2)cc1CN1C(=O)OC[C@H]1C
InChIInChI=1S/C18H17F3N2O4/c1-10-9-26-18(24)23(10)8-13-5-12(7-22-16(13)25-2)11-3-4-14(19)15(6-11)27-17(20)21/h3-7,10,17H,8-9H2,1-2H3/t10-/m1/s1
InChIKeyOUAMMSXUDHCQJG-SNVBAGLBSA-N
MW382.34 g/mol
LogP3.84
Rot. Bonds6

About (4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one

(4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 155385648) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is (4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID155385648
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name(4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ncc(-c2ccc(F)c(OC(F)F)c2)cc1CN1C(=O)OC[C@H]1C
InChIInChI=1S/C18H17F3N2O4/c1-10-9-26-18(24)23(10)8-13-5-12(7-22-16(13)25-2)11-3-4-14(19)15(6-11)27-17(20)21/h3-7,10,17H,8-9H2,1-2H3/t10-/m1/s1
InChIKeyOUAMMSXUDHCQJG-SNVBAGLBSA-N
XLogP3.84
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 155385648) is (4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one is COc1ncc(-c2ccc(F)c(OC(F)F)c2)cc1CN1C(=O)OC[C@H]1C.
What is the InChIKey of (4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is OUAMMSXUDHCQJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-10-9-26-18(24)23(10)8-13-5-12(7-22-16(13)25-2)11-3-4-14(19)15(6-11)27-17(20)21/h3-7,10,17H,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 382.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155385648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).