2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide

C16H21N3O2S — CID 119535706

IUPAC2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)NCCC1CCNC1
InChIInChI=1S/C16H21N3O2S/c1-11-14(19-16(21-11)13-4-7-22-10-13)8-15(20)18-6-3-12-2-5-17-9-12/h4,7,10,12,17H,2-3,5-6,8-9H2,1H3,(H,18,20)
InChIKeyVPJLQECAHQDXGO-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.37
Rot. Bonds6

About 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119535706) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119535706
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)NCCC1CCNC1
InChIInChI=1S/C16H21N3O2S/c1-11-14(19-16(21-11)13-4-7-22-10-13)8-15(20)18-6-3-12-2-5-17-9-12/h4,7,10,12,17H,2-3,5-6,8-9H2,1H3,(H,18,20)
InChIKeyVPJLQECAHQDXGO-UHFFFAOYSA-N
XLogP2.37
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95317942
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 120998250
N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 111484186
N-[2-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 166298149
2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119536067
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
CID 119166403
1-[(2R)-2,4-dimethylpiperazin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone
CID 97066582
N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119666734
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 120735490

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119535706) is 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide is Cc1oc(-c2ccsc2)nc1CC(=O)NCCC1CCNC1.
What is the InChIKey of 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is VPJLQECAHQDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-14(19-16(21-11)13-4-7-22-10-13)8-15(20)18-6-3-12-2-5-17-9-12/h4,7,10,12,17H,2-3,5-6,8-9H2,1H3,(H,18,20).
What are the key properties of 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119535706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).