1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone

C12H18N2O4 — CID 113340535

IUPAC1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
SMILESCc1cc(OCC(=O)N2CCC(CCO)C2)no1
InChIInChI=1S/C12H18N2O4/c1-9-6-11(13-18-9)17-8-12(16)14-4-2-10(7-14)3-5-15/h6,10,15H,2-5,7-8H2,1H3
InChIKeyUDBZUWJIESGMCQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.59
Rot. Bonds5

About 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone

1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone (PubChem CID 113340535) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
PubChem CID113340535
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
SMILESCc1cc(OCC(=O)N2CCC(CCO)C2)no1
InChIInChI=1S/C12H18N2O4/c1-9-6-11(13-18-9)17-8-12(16)14-4-2-10(7-14)3-5-15/h6,10,15H,2-5,7-8H2,1H3
InChIKeyUDBZUWJIESGMCQ-UHFFFAOYSA-N
XLogP0.59
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]azetidin-3-yl]acetic acid
CID 64603184
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 95734457
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 95768087
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736420
4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid
CID 114427323
2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid
CID 106741827
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746603
2-(4-chloro-3-methylphenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356775
(2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
CID 79000771
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 113268925
methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate
CID 115280103
2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796661

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone?
The IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone (CID 113340535) is 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone?
The canonical SMILES for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone is Cc1cc(OCC(=O)N2CCC(CCO)C2)no1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone?
The InChIKey is UDBZUWJIESGMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9-6-11(13-18-9)17-8-12(16)14-4-2-10(7-14)3-5-15/h6,10,15H,2-5,7-8H2,1H3.
What are the key properties of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone?
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone has a molecular weight of 254.29 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone is sourced from PubChem (CID 113340535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).