5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

C13H13N3O3S — CID 134075372

IUPAC5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCC(=O)N1Cc2nc(C(=O)NCc3cccs3)oc2C1
InChIInChI=1S/C13H13N3O3S/c1-8(17)16-6-10-11(7-16)19-13(15-10)12(18)14-5-9-3-2-4-20-9/h2-4H,5-7H2,1H3,(H,14,18)
InChIKeyOLSTVYFJJYXQNA-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.53
Rot. Bonds3

About 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 134075372) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID134075372
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCC(=O)N1Cc2nc(C(=O)NCc3cccs3)oc2C1
InChIInChI=1S/C13H13N3O3S/c1-8(17)16-6-10-11(7-16)19-13(15-10)12(18)14-5-9-3-2-4-20-9/h2-4H,5-7H2,1H3,(H,14,18)
InChIKeyOLSTVYFJJYXQNA-UHFFFAOYSA-N
XLogP1.53
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide 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

2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
CID 126820136
5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53195229
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-phenyl-6-(thiophen-2-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-2-carboxamide
CID 134807442
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 134075372) is 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is CC(=O)N1Cc2nc(C(=O)NCc3cccs3)oc2C1.
What is the InChIKey of 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is OLSTVYFJJYXQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8(17)16-6-10-11(7-16)19-13(15-10)12(18)14-5-9-3-2-4-20-9/h2-4H,5-7H2,1H3,(H,14,18).
What are the key properties of 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 134075372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).