[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone

C9H12N2O3 — CID 66335266

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cnoc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H12N2O3/c1-6-4-10-14-8(6)9(13)11-3-2-7(12)5-11/h4,7,12H,2-3,5H2,1H3/t7-/m1/s1
InChIKeyZAYGWULSIOPULK-SSDOTTSWSA-N
MW196.21 g/mol
LogP0.19
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 66335266) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
PubChem CID66335266
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cnoc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H12N2O3/c1-6-4-10-14-8(6)9(13)11-3-2-7(12)5-11/h4,7,12H,2-3,5H2,1H3/t7-/m1/s1
InChIKeyZAYGWULSIOPULK-SSDOTTSWSA-N
XLogP0.19
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918349
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81483357
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81483123
3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 66334339
[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81485230
(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66335401
4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 66336150
1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66334626
(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66336316
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
CID 115875321
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone (CID 66335266) is [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone is Cc1cnoc1C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is ZAYGWULSIOPULK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-4-10-14-8(6)9(13)11-3-2-7(12)5-11/h4,7,12H,2-3,5H2,1H3/t7-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 196.21 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 66335266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).