(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one

C14H17FN2O2 — CID 129188702

IUPAC(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESC[C@@H](C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1
InChIInChI=1S/C14H17FN2O2/c1-9(10-2-3-10)14(18)17-12(6-7-19-17)11-4-5-13(15)16-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3/t9-,12+/m1/s1
InChIKeyHDTLNGPDJGWNJP-SKDRFNHKSA-N
MW264.30 g/mol
LogP2.47
Rot. Bonds3

About (2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one

(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one (PubChem CID 129188702) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
PubChem CID129188702
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESC[C@@H](C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1
InChIInChI=1S/C14H17FN2O2/c1-9(10-2-3-10)14(18)17-12(6-7-19-17)11-4-5-13(15)16-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3/t9-,12+/m1/s1
InChIKeyHDTLNGPDJGWNJP-SKDRFNHKSA-N
XLogP2.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The IUPAC name of (2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one (CID 129188702) is (2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one.
What is the SMILES notation for (2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The canonical SMILES for (2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one is C[C@@H](C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The InChIKey is HDTLNGPDJGWNJP-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9(10-2-3-10)14(18)17-12(6-7-19-17)11-4-5-13(15)16-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3/t9-,12+/m1/s1.
What are the key properties of (2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one has a molecular weight of 264.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one is sourced from PubChem (CID 129188702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).