2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone

C18H23N3O2S — CID 94440139

IUPAC2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
SMILESCc1cc([C@@H]2CCCN2CC(=O)N2CCC[C@@H]2c2ccsc2)no1
InChIInChI=1S/C18H23N3O2S/c1-13-10-15(19-23-13)17-5-2-7-20(17)11-18(22)21-8-3-4-16(21)14-6-9-24-12-14/h6,9-10,12,16-17H,2-5,7-8,11H2,1H3/t16-,17+/m1/s1
InChIKeyYCLOZOSKXOUBFE-SJORKVTESA-N
MW345.47 g/mol
LogP3.55
Rot. Bonds4

About 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone

2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone (PubChem CID 94440139) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
PubChem CID94440139
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
SMILESCc1cc([C@@H]2CCCN2CC(=O)N2CCC[C@@H]2c2ccsc2)no1
InChIInChI=1S/C18H23N3O2S/c1-13-10-15(19-23-13)17-5-2-7-20(17)11-18(22)21-8-3-4-16(21)14-6-9-24-12-14/h6,9-10,12,16-17H,2-5,7-8,11H2,1H3/t16-,17+/m1/s1
InChIKeyYCLOZOSKXOUBFE-SJORKVTESA-N
XLogP3.55
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94866933
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94002536
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087259
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
4-[2-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538331
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 71939860
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 95288889
2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 95750391

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone (CID 94440139) is 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone is Cc1cc([C@@H]2CCCN2CC(=O)N2CCC[C@@H]2c2ccsc2)no1.
What is the InChIKey of 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The InChIKey is YCLOZOSKXOUBFE-SJORKVTESA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-10-15(19-23-13)17-5-2-7-20(17)11-18(22)21-8-3-4-16(21)14-6-9-24-12-14/h6,9-10,12,16-17H,2-5,7-8,11H2,1H3/t16-,17+/m1/s1.
What are the key properties of 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94440139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).