[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C16H17FN2O4 — CID 42245668

IUPAC[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1coc(COc2ccccc2F)n1)N1CCC[C@H]1CO
InChIInChI=1S/C16H17FN2O4/c17-12-5-1-2-6-14(12)22-10-15-18-13(9-23-15)16(21)19-7-3-4-11(19)8-20/h1-2,5-6,9,11,20H,3-4,7-8,10H2/t11-/m0/s1
InChIKeyRFIYWSWDHRPZMB-NSHDSACASA-N
MW320.32 g/mol
LogP1.99
Rot. Bonds5

About [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 42245668) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID42245668
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1coc(COc2ccccc2F)n1)N1CCC[C@H]1CO
InChIInChI=1S/C16H17FN2O4/c17-12-5-1-2-6-14(12)22-10-15-18-13(9-23-15)16(21)19-7-3-4-11(19)8-20/h1-2,5-6,9,11,20H,3-4,7-8,10H2/t11-/m0/s1
InChIKeyRFIYWSWDHRPZMB-NSHDSACASA-N
XLogP1.99
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 42245668) is [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1coc(COc2ccccc2F)n1)N1CCC[C@H]1CO.
What is the InChIKey of [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RFIYWSWDHRPZMB-NSHDSACASA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-12-5-1-2-6-14(12)22-10-15-18-13(9-23-15)16(21)19-7-3-4-11(19)8-20/h1-2,5-6,9,11,20H,3-4,7-8,10H2/t11-/m0/s1.
What are the key properties of [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 320.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42245668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).