1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone

C17H20N2O3 — CID 139010136

IUPAC1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC(CO)(c3ccccc3)C2)no1
InChIInChI=1S/C17H20N2O3/c1-13-9-15(18-22-13)10-16(21)19-8-7-17(11-19,12-20)14-5-3-2-4-6-14/h2-6,9,20H,7-8,10-12H2,1H3
InChIKeyRKTMICJKLQSXJH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.69
Rot. Bonds4

About 1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone

1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (PubChem CID 139010136) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
PubChem CID139010136
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC(CO)(c3ccccc3)C2)no1
InChIInChI=1S/C17H20N2O3/c1-13-9-15(18-22-13)10-16(21)19-8-7-17(11-19,12-20)14-5-3-2-4-6-14/h2-6,9,20H,7-8,10-12H2,1H3
InChIKeyRKTMICJKLQSXJH-UHFFFAOYSA-N
XLogP1.69
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (CID 139010136) is 1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is Cc1cc(CC(=O)N2CCC(CO)(c3ccccc3)C2)no1.
What is the InChIKey of 1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is RKTMICJKLQSXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-9-15(18-22-13)10-16(21)19-8-7-17(11-19,12-20)14-5-3-2-4-6-14/h2-6,9,20H,7-8,10-12H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 300.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 139010136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).