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

C15H19N3O2S — CID 124838853

IUPAC(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCC[C@H]2c2ccsc2)on1
InChIInChI=1S/C15H19N3O2S/c1-10-8-14(20-17-10)16-15(19)11(2)18-6-3-4-13(18)12-5-7-21-9-12/h5,7-9,11,13H,3-4,6H2,1-2H3,(H,16,19)/t11-,13+/m1/s1
InChIKeyXMHMQGBTSGHHHM-YPMHNXCESA-N
MW305.40 g/mol
LogP3.21
Rot. Bonds4

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

(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide (PubChem CID 124838853) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
PubChem CID124838853
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCC[C@H]2c2ccsc2)on1
InChIInChI=1S/C15H19N3O2S/c1-10-8-14(20-17-10)16-15(19)11(2)18-6-3-4-13(18)12-5-7-21-9-12/h5,7-9,11,13H,3-4,6H2,1-2H3,(H,16,19)/t11-,13+/m1/s1
InChIKeyXMHMQGBTSGHHHM-YPMHNXCESA-N
XLogP3.21
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032737
(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032736
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124838819
(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124860071
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 78835450
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 129425645
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 124838744
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963
N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
CID 47055897
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129461455
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 86916273
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 124736674

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide (CID 124838853) is (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide is Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H]2c2ccsc2)on1.
What is the InChIKey of (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The InChIKey is XMHMQGBTSGHHHM-YPMHNXCESA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-8-14(20-17-10)16-15(19)11(2)18-6-3-4-13(18)12-5-7-21-9-12/h5,7-9,11,13H,3-4,6H2,1-2H3,(H,16,19)/t11-,13+/m1/s1.
What are the key properties of (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124838853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).