2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one

C15H19FN2O2 — CID 129188678

IUPAC2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESCc1ncc([C@@H]2CCON2C(=O)C(C)C2CC2)cc1F
InChIInChI=1S/C15H19FN2O2/c1-9(11-3-4-11)15(19)18-14(5-6-20-18)12-7-13(16)10(2)17-8-12/h7-9,11,14H,3-6H2,1-2H3/t9?,14-/m0/s1
InChIKeyIITLQJOGVCSGRH-RJSPSEDBSA-N
MW278.33 g/mol
LogP2.78
Rot. Bonds3

About 2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one

2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one (PubChem CID 129188678) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
PubChem CID129188678
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESCc1ncc([C@@H]2CCON2C(=O)C(C)C2CC2)cc1F
InChIInChI=1S/C15H19FN2O2/c1-9(11-3-4-11)15(19)18-14(5-6-20-18)12-7-13(16)10(2)17-8-12/h7-9,11,14H,3-6H2,1-2H3/t9?,14-/m0/s1
InChIKeyIITLQJOGVCSGRH-RJSPSEDBSA-N
XLogP2.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one with MolForge

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Related Compounds

2-(Cyclohex-1-EN-1-YL)-1-[3-(methoxymethyl)-4-(pyridin-2-YL)pyrrolidin-1-YL]ethan-1-one
CID 124051554
1-[3-(Methoxymethyl)-4-(pyridin-2-YL)pyrrolidin-1-YL]-3-methylbutan-1-one
CID 124078036
[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 24987899
[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 68710252
[2-[6-(4-Fluorophenyl)-3-pyridinyl]cyclopropyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 74380507
(3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid
CID 129188674
5-[(3S)-2-(3,3-difluoro-2,2-dimethylbutanoyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 129188677
(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188702
2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188704
(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine
CID 129188710
3,3-Difluoro-2,2-dimethyl-1-[3-(6-methylpyridin-3-yl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188717
[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone
CID 129188718

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The IUPAC name of 2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one (CID 129188678) is 2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one is Cc1ncc([C@@H]2CCON2C(=O)C(C)C2CC2)cc1F.
What is the InChIKey of 2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The InChIKey is IITLQJOGVCSGRH-RJSPSEDBSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(11-3-4-11)15(19)18-14(5-6-20-18)12-7-13(16)10(2)17-8-12/h7-9,11,14H,3-6H2,1-2H3/t9?,14-/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one has a molecular weight of 278.33 g/mol, XLogP of 2.78, 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-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one is sourced from PubChem (CID 129188678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).