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

C18H17F3N2O2 — CID 155385849

IUPAC3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc(F)c(C(F)F)c2)cc1CN1C(=O)OCC1C
InChIInChI=1S/C18H17F3N2O2/c1-10-9-25-18(24)23(10)8-14-5-13(7-22-11(14)2)12-3-4-16(19)15(6-12)17(20)21/h3-7,10,17H,8-9H2,1-2H3
InChIKeyKIQVDTPKAKLHGO-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.47
Rot. Bonds4

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

3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 155385849) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID155385849
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1ncc(-c2ccc(F)c(C(F)F)c2)cc1CN1C(=O)OCC1C
InChIInChI=1S/C18H17F3N2O2/c1-10-9-25-18(24)23(10)8-14-5-13(7-22-11(14)2)12-3-4-16(19)15(6-12)17(20)21/h3-7,10,17H,8-9H2,1-2H3
InChIKeyKIQVDTPKAKLHGO-UHFFFAOYSA-N
XLogP4.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 155385849) is 3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one is Cc1ncc(-c2ccc(F)c(C(F)F)c2)cc1CN1C(=O)OCC1C.
What is the InChIKey of 3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is KIQVDTPKAKLHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-10-9-25-18(24)23(10)8-14-5-13(7-22-11(14)2)12-3-4-16(19)15(6-12)17(20)21/h3-7,10,17H,8-9H2,1-2H3.
What are the key properties of 3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 350.34 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155385849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).