(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone

C18H17FN2O4 — CID 124617683

IUPAC(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
SMILESO=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCOc2cccc(F)c21
InChIInChI=1S/C18H17FN2O4/c19-14-2-1-3-15-17(14)21(7-9-24-15)18(22)12-4-6-20-16(10-12)25-13-5-8-23-11-13/h1-4,6,10,13H,5,7-9,11H2/t13-/m0/s1
InChIKeyLLLGBPWRTHUHRZ-ZDUSSCGKSA-N
MW344.34 g/mol
LogP2.43
Rot. Bonds3

About (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone

(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone (PubChem CID 124617683) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
PubChem CID124617683
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
SMILESO=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCOc2cccc(F)c21
InChIInChI=1S/C18H17FN2O4/c19-14-2-1-3-15-17(14)21(7-9-24-15)18(22)12-4-6-20-16(10-12)25-13-5-8-23-11-13/h1-4,6,10,13H,5,7-9,11H2/t13-/m0/s1
InChIKeyLLLGBPWRTHUHRZ-ZDUSSCGKSA-N
XLogP2.43
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815300
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
[2-(oxolan-3-yloxy)-4-pyridinyl]-(3-phenylmorpholin-4-yl)methanone
CID 127840607
3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529740
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-(2,5-difluorophenyl)-N-methyl-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 97353319
[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
CID 99854488
2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535137
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
The IUPAC name of (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone (CID 124617683) is (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
The canonical SMILES for (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone is O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCOc2cccc(F)c21.
What is the InChIKey of (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
The InChIKey is LLLGBPWRTHUHRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-14-2-1-3-15-17(14)21(7-9-24-15)18(22)12-4-6-20-16(10-12)25-13-5-8-23-11-13/h1-4,6,10,13H,5,7-9,11H2/t13-/m0/s1.
What are the key properties of (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone has a molecular weight of 344.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone is sourced from PubChem (CID 124617683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).