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

C12H18N2O3 — CID 72864668

IUPAC[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC(C)(C)[C@@](C)(O)C1
InChIInChI=1S/C12H18N2O3/c1-8-9(17-7-13-8)10(15)14-5-11(2,3)12(4,16)6-14/h7,16H,5-6H2,1-4H3/t12-/m0/s1
InChIKeyIXVSZALQPJGXFY-LBPRGKRZSA-N
MW238.29 g/mol
LogP1.22
Rot. Bonds1

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

[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 72864668) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID72864668
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC(C)(C)[C@@](C)(O)C1
InChIInChI=1S/C12H18N2O3/c1-8-9(17-7-13-8)10(15)14-5-11(2,3)12(4,16)6-14/h7,16H,5-6H2,1-4H3/t12-/m0/s1
InChIKeyIXVSZALQPJGXFY-LBPRGKRZSA-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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 72864668) is [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CC(C)(C)[C@@](C)(O)C1.
What is the InChIKey of [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is IXVSZALQPJGXFY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-9(17-7-13-8)10(15)14-5-11(2,3)12(4,16)6-14/h7,16H,5-6H2,1-4H3/t12-/m0/s1.
What are the key properties of [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-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 [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 72864668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).