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

C14H17FN2O2 — CID 129188704

IUPAC2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESCC(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-/m0/s1
InChIKeyHDTLNGPDJGWNJP-ACGXKRRESA-N
MW264.30 g/mol
LogP2.47
Rot. Bonds3

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

2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one (PubChem CID 129188704) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
PubChem CID129188704
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESCC(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-/m0/s1
InChIKeyHDTLNGPDJGWNJP-ACGXKRRESA-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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Related Compounds

2-(3-Fluorophenyl)-1-[3-(methoxymethyl)-4-(pyridin-4-YL)pyrrolidin-1-YL]ethan-1-one
CID 110202848
(3aR,6S,7aS)-5-(acetyl)-6-(4-(pyridin-3-yl)phenyl)-1-methyloctahydroisoxazolo[4,3-c]pyridine
CID 46902463
2-(3-fluorophenyl)-1-[(2S,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 97391881
2-(4-fluorophenyl)-1-[(2R,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 97470557
2-(4-Fluorophenyl)-1-[3-(methoxymethyl)-4-(pyridin-4-YL)pyrrolidin-1-YL]ethan-1-one
CID 110202869
2,2-dimethyl-1-((3aR,6S,7aS)-1-methyl-6-(4-(pyridin-3-yl)phenyl)tetrahydroisoxazolo[4,3-c]pyridin-5(1H,3H,6H)-yl)propan-1-one
CID 51360893
cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 110202813
2-(1-cyclohexenyl)-1-[(3S,4R)-3-[(cyclopropylmethoxy)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone
CID 110202815
4-[1-Cyclopropanecarbonyl-4-(methoxymethyl)pyrrolidin-3-YL]pyridine
CID 110202842
1-[3-(Methoxymethyl)-4-(pyridin-2-YL)pyrrolidin-1-YL]-3-methylbutan-1-one
CID 124078036
(4S,5S)-1-ethyl-4-(hydroxymethyl)-5-(pyridin-3-yl)pyrrolidin-2-one
CID 121552867
[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 24987899

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The IUPAC name of 2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one (CID 129188704) is 2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one is CC(C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The InChIKey is HDTLNGPDJGWNJP-ACGXKRRESA-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-/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
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 2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one is sourced from PubChem (CID 129188704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).