[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone

C18H19F2N3O3 — CID 166315806

IUPAC[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone
SMILESCOc1cc(C2CCCN2C(=O)c2cnc3n2CCOC3)cc(F)c1F
InChIInChI=1S/C18H19F2N3O3/c1-25-15-8-11(7-12(19)17(15)20)13-3-2-4-23(13)18(24)14-9-21-16-10-26-6-5-22(14)16/h7-9,13H,2-6,10H2,1H3
InChIKeyADKBSZQBWSNAJI-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.68
Rot. Bonds3

About [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone

[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone (PubChem CID 166315806) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone
PubChem CID166315806
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone
SMILESCOc1cc(C2CCCN2C(=O)c2cnc3n2CCOC3)cc(F)c1F
InChIInChI=1S/C18H19F2N3O3/c1-25-15-8-11(7-12(19)17(15)20)13-3-2-4-23(13)18(24)14-9-21-16-10-26-6-5-22(14)16/h7-9,13H,2-6,10H2,1H3
InChIKeyADKBSZQBWSNAJI-UHFFFAOYSA-N
XLogP2.68
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone with MolForge

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Related Compounds

[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 166313993
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587857
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587858
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 94618354
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl-(3-ethynylazetidin-1-yl)methanone
CID 136554458
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 32840665
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 29357961
5-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 125145135
(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 124617297
[2-(4-fluorophenyl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 70772344
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone?
The IUPAC name of [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone (CID 166315806) is [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone.
What is the SMILES notation for [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone?
The canonical SMILES for [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone is COc1cc(C2CCCN2C(=O)c2cnc3n2CCOC3)cc(F)c1F.
What is the InChIKey of [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone?
The InChIKey is ADKBSZQBWSNAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-25-15-8-11(7-12(19)17(15)20)13-3-2-4-23(13)18(24)14-9-21-16-10-26-6-5-22(14)16/h7-9,13H,2-6,10H2,1H3.
What are the key properties of [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone?
[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone has a molecular weight of 363.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone is sourced from PubChem (CID 166315806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).