(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide

C20H21N3O2S — CID 124838744

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H]2c2ccsc2)no1
InChIInChI=1S/C20H21N3O2S/c1-14-12-18(22-25-14)21-20(24)19(15-6-3-2-4-7-15)23-10-5-8-17(23)16-9-11-26-13-16/h2-4,6-7,9,11-13,17,19H,5,8,10H2,1H3,(H,21,22,24)/t17-,19+/m0/s1
InChIKeyGJOKYRRGIYUDSV-PKOBYXMFSA-N
MW367.47 g/mol
LogP4.56
Rot. Bonds5

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide (PubChem CID 124838744) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
PubChem CID124838744
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H]2c2ccsc2)no1
InChIInChI=1S/C20H21N3O2S/c1-14-12-18(22-25-14)21-20(24)19(15-6-3-2-4-7-15)23-10-5-8-17(23)16-9-11-26-13-16/h2-4,6-7,9,11-13,17,19H,5,8,10H2,1H3,(H,21,22,24)/t17-,19+/m0/s1
InChIKeyGJOKYRRGIYUDSV-PKOBYXMFSA-N
XLogP4.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94452155
(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94452171
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124838853
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 17438264
(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34680281
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52907271
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166218963
N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 34722221
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-propylpiperazin-1-yl)acetamide
CID 30956561
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
CID 166180673
2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 94440139
1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 94566097

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide (CID 124838744) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide is Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H]2c2ccsc2)no1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The InChIKey is GJOKYRRGIYUDSV-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-12-18(22-25-14)21-20(24)19(15-6-3-2-4-7-15)23-10-5-8-17(23)16-9-11-26-13-16/h2-4,6-7,9,11-13,17,19H,5,8,10H2,1H3,(H,21,22,24)/t17-,19+/m0/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124838744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).