[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone

C19H19N3O4 — CID 24790500

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[C@H]1CO
InChIInChI=1S/C19H19N3O4/c23-11-14-4-2-8-22(14)19(24)18-10-16(26-21-18)12-25-15-5-6-17-13(9-15)3-1-7-20-17/h1,3,5-7,9-10,14,23H,2,4,8,11-12H2/t14-/m0/s1
InChIKeyXROXGICUHJOGQA-AWEZNQCLSA-N
MW353.38 g/mol
LogP2.40
Rot. Bonds5

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 24790500) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID24790500
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[C@H]1CO
InChIInChI=1S/C19H19N3O4/c23-11-14-4-2-8-22(14)19(24)18-10-16(26-21-18)12-25-15-5-6-17-13(9-15)3-1-7-20-17/h1,3,5-7,9-10,14,23H,2,4,8,11-12H2/t14-/m0/s1
InChIKeyXROXGICUHJOGQA-AWEZNQCLSA-N
XLogP2.40
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone (CID 24790500) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is XROXGICUHJOGQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-11-14-4-2-8-22(14)19(24)18-10-16(26-21-18)12-25-15-5-6-17-13(9-15)3-1-7-20-17/h1,3,5-7,9-10,14,23H,2,4,8,11-12H2/t14-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 353.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24790500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).