[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C12H18N2O3 — CID 133115078

IUPAC[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC(C)(C)[C@](C)(O)C1
InChIInChI=1S/C12H18N2O3/c1-8-9(5-13-17-8)10(15)14-6-11(2,3)12(4,16)7-14/h5,16H,6-7H2,1-4H3/t12-/m1/s1
InChIKeyMZDWFQPVIYTQMQ-GFCCVEGCSA-N
MW238.29 g/mol
LogP1.22
Rot. Bonds1

About [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 133115078) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID133115078
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC(C)(C)[C@](C)(O)C1
InChIInChI=1S/C12H18N2O3/c1-8-9(5-13-17-8)10(15)14-6-11(2,3)12(4,16)7-14/h5,16H,6-7H2,1-4H3/t12-/m1/s1
InChIKeyMZDWFQPVIYTQMQ-GFCCVEGCSA-N
XLogP1.22
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
(3-aminoazetidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 65244931
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 114781472
(4-hydroxyiminopiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 24702028
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 72862751
2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896118
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
(5-methyl-1,2-oxazol-4-yl)-[(5R)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393555
(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 79868336
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334399
(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97399123
[4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 126856147

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 133115078) is [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CC(C)(C)[C@](C)(O)C1.
What is the InChIKey of [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is MZDWFQPVIYTQMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-9(5-13-17-8)10(15)14-6-11(2,3)12(4,16)7-14/h5,16H,6-7H2,1-4H3/t12-/m1/s1.
What are the key properties of [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 133115078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).