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

C14H22N2O3 — CID 72938599

IUPAC[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1oncc1C(=O)N1CC(C)(C)[C@@](C)(O)C1
InChIInChI=1S/C14H22N2O3/c1-5-6-11-10(7-15-19-11)12(17)16-8-13(2,3)14(4,18)9-16/h7,18H,5-6,8-9H2,1-4H3/t14-/m0/s1
InChIKeyUKBTVXJIJSACOR-AWEZNQCLSA-N
MW266.34 g/mol
LogP1.86
Rot. Bonds3

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

[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone (PubChem CID 72938599) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
PubChem CID72938599
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1oncc1C(=O)N1CC(C)(C)[C@@](C)(O)C1
InChIInChI=1S/C14H22N2O3/c1-5-6-11-10(7-15-19-11)12(17)16-8-13(2,3)14(4,18)9-16/h7,18H,5-6,8-9H2,1-4H3/t14-/m0/s1
InChIKeyUKBTVXJIJSACOR-AWEZNQCLSA-N
XLogP1.86
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.86
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]-(5-propyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone (CID 72938599) is [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone is CCCc1oncc1C(=O)N1CC(C)(C)[C@@](C)(O)C1.
What is the InChIKey of [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The InChIKey is UKBTVXJIJSACOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-6-11-10(7-15-19-11)12(17)16-8-13(2,3)14(4,18)9-16/h7,18H,5-6,8-9H2,1-4H3/t14-/m0/s1.
What are the key properties of [(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.86, 3 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]-(5-propyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 72938599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).