[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone

C9H12N2O3 — CID 115277573

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCC[C@H]1CO
InChIInChI=1S/C9H12N2O3/c12-6-7-2-1-5-11(7)9(13)8-3-4-10-14-8/h3-4,7,12H,1-2,5-6H2/t7-/m0/s1
InChIKeySTWQGNAMNUXDQF-ZETCQYMHSA-N
MW196.21 g/mol
LogP0.27
Rot. Bonds2

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

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 115277573) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID115277573
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCC[C@H]1CO
InChIInChI=1S/C9H12N2O3/c12-6-7-2-1-5-11(7)9(13)8-3-4-10-14-8/h3-4,7,12H,1-2,5-6H2/t7-/m0/s1
InChIKeySTWQGNAMNUXDQF-ZETCQYMHSA-N
XLogP0.27
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-aminoethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 82507773
1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209795
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028614
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 104629891
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 79028762
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 66261699

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 115277573) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is STWQGNAMNUXDQF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-6-7-2-1-5-11(7)9(13)8-3-4-10-14-8/h3-4,7,12H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 196.21 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 115277573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).