2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

C14H15N5O2S — CID 122275792

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C14H15N5O2S/c1-9-13(10(2)21-17-9)5-14(20)15-6-11-7-19(18-16-11)12-3-4-22-8-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,20)
InChIKeyOSKDSADDWFBIIL-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.79
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122275792) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122275792
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C14H15N5O2S/c1-9-13(10(2)21-17-9)5-14(20)15-6-11-7-19(18-16-11)12-3-4-22-8-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,20)
InChIKeyOSKDSADDWFBIIL-UHFFFAOYSA-N
XLogP1.79
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide 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-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275655
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717693
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
CID 122275740
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
1-(1-adamantyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275978
3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275801
1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275949
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47205239
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124877781
1-quinolin-5-yl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275943
3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275883

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122275792) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is Cc1noc(C)c1CC(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is OSKDSADDWFBIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-9-13(10(2)21-17-9)5-14(20)15-6-11-7-19(18-16-11)12-3-4-22-8-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,20).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 317.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122275792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).