[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone

C17H22F2N2O2 — CID 155250733

IUPAC[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone
SMILESCCN1CCC(C(=O)N2OCC[C@@H]2c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H22F2N2O2/c1-2-20-6-3-12(4-7-20)17(22)21-16(5-8-23-21)13-9-14(18)11-15(19)10-13/h9-12,16H,2-8H2,1H3/t16-/m1/s1
InChIKeyDPAHGNZOBDYCBE-MRXNPFEDSA-N
MW324.37 g/mol
LogP2.90
Rot. Bonds3

About [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone

[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone (PubChem CID 155250733) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone
PubChem CID155250733
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone
SMILESCCN1CCC(C(=O)N2OCC[C@@H]2c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H22F2N2O2/c1-2-20-6-3-12(4-7-20)17(22)21-16(5-8-23-21)13-9-14(18)11-15(19)10-13/h9-12,16H,2-8H2,1H3/t16-/m1/s1
InChIKeyDPAHGNZOBDYCBE-MRXNPFEDSA-N
XLogP2.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone?
The IUPAC name of [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone (CID 155250733) is [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone?
The canonical SMILES for [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone is CCN1CCC(C(=O)N2OCC[C@@H]2c2cc(F)cc(F)c2)CC1.
What is the InChIKey of [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone?
The InChIKey is DPAHGNZOBDYCBE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-2-20-6-3-12(4-7-20)17(22)21-16(5-8-23-21)13-9-14(18)11-15(19)10-13/h9-12,16H,2-8H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone?
[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone has a molecular weight of 324.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone is sourced from PubChem (CID 155250733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).