(2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C11H15FN2O3 — CID 136582247

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C(=O)N2C[C@@H](F)C[C@H]2CO)c(C)o1
InChIInChI=1S/C11H15FN2O3/c1-6-10(13-7(2)17-6)11(16)14-4-8(12)3-9(14)5-15/h8-9,15H,3-5H2,1-2H3/t8-,9-/m0/s1
InChIKeyLOONIKXLIBGCJV-IUCAKERBSA-N
MW242.25 g/mol
LogP0.84
Rot. Bonds2

About (2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 136582247) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID136582247
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C(=O)N2C[C@@H](F)C[C@H]2CO)c(C)o1
InChIInChI=1S/C11H15FN2O3/c1-6-10(13-7(2)17-6)11(16)14-4-8(12)3-9(14)5-15/h8-9,15H,3-5H2,1-2H3/t8-,9-/m0/s1
InChIKeyLOONIKXLIBGCJV-IUCAKERBSA-N
XLogP0.84
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 53195179
5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 53195191
Methyl 1-[(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)carbonyl]-2-pyrrolidinecarboxylate
CID 53195307
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 164632721
(2,5-Dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 126827791
[(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128986747
(2,5-Dimethyl-1,3-oxazol-4-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 137974925
[3-(Difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
CID 138036942
[2-(azetidin-3-yl)-5-methyl-1,3-oxazol-4-yl]-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 167952434
[2-(azetidin-3-yl)-5-methyl-1,3-oxazol-4-yl]-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 167952435
1-[(2,5-Dimethyl-1,3-oxazol-4-yl)carbonyl]-4-(hydroxymethyl)-4-azepanol
CID 56913353
tert-butyl (2S)-2-[4-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
CID 10716550

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 136582247) is (2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cc1nc(C(=O)N2C[C@@H](F)C[C@H]2CO)c(C)o1.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is LOONIKXLIBGCJV-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-6-10(13-7(2)17-6)11(16)14-4-8(12)3-9(14)5-15/h8-9,15H,3-5H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 242.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136582247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).