[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone

C19H16F2N2O4 — CID 56742487

IUPAC[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(COc2c(F)cccc2F)on1)N1CCCC1c1ccco1
InChIInChI=1S/C19H16F2N2O4/c20-13-4-1-5-14(21)18(13)26-11-12-10-15(22-27-12)19(24)23-8-2-6-16(23)17-7-3-9-25-17/h1,3-5,7,9-10,16H,2,6,8,11H2
InChIKeyHDSUOQLARBVXHS-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.10
Rot. Bonds5

About [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone

[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 56742487) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID56742487
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Name[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(COc2c(F)cccc2F)on1)N1CCCC1c1ccco1
InChIInChI=1S/C19H16F2N2O4/c20-13-4-1-5-14(21)18(13)26-11-12-10-15(22-27-12)19(24)23-8-2-6-16(23)17-7-3-9-25-17/h1,3-5,7,9-10,16H,2,6,8,11H2
InChIKeyHDSUOQLARBVXHS-UHFFFAOYSA-N
XLogP4.10
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
ethyl 2-[(2S)-1-[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 42195750
ethyl 2-[(2R)-1-[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 42195751
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 51611887
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 25301894
(2S)-1-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365137
(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 20895629
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 50746969
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 51550762
[2-(furan-2-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 20895623
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 51550766
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060

Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone (CID 56742487) is [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cc(COc2c(F)cccc2F)on1)N1CCCC1c1ccco1.
What is the InChIKey of [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HDSUOQLARBVXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c20-13-4-1-5-14(21)18(13)26-11-12-10-15(22-27-12)19(24)23-8-2-6-16(23)17-7-3-9-25-17/h1,3-5,7,9-10,16H,2,6,8,11H2.
What are the key properties of [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 374.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56742487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).