3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C18H17F2N3O4 — CID 70141442

IUPAC3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(COc2ccon2)N1c1cc(F)c(C2C=CNCC2)c(F)c1
InChIInChI=1S/C18H17F2N3O4/c19-14-7-12(8-15(20)17(14)11-1-4-21-5-2-11)23-13(10-26-18(23)24)9-25-16-3-6-27-22-16/h1,3-4,6-8,11,13,21H,2,5,9-10H2
InChIKeyIMQPISBLTFPIIE-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.95
Rot. Bonds5

About 3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 70141442) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is 3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID70141442
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(COc2ccon2)N1c1cc(F)c(C2C=CNCC2)c(F)c1
InChIInChI=1S/C18H17F2N3O4/c19-14-7-12(8-15(20)17(14)11-1-4-21-5-2-11)23-13(10-26-18(23)24)9-25-16-3-6-27-22-16/h1,3-4,6-8,11,13,21H,2,5,9-10H2
InChIKeyIMQPISBLTFPIIE-UHFFFAOYSA-N
XLogP2.95
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 70141442) is 3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is O=C1OCC(COc2ccon2)N1c1cc(F)c(C2C=CNCC2)c(F)c1.
What is the InChIKey of 3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is IMQPISBLTFPIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c19-14-7-12(8-15(20)17(14)11-1-4-21-5-2-11)23-13(10-26-18(23)24)9-25-16-3-6-27-22-16/h1,3-4,6-8,11,13,21H,2,5,9-10H2.
What are the key properties of 3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 377.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70141442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).