2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C18H22N4O2S — CID 108804317

IUPAC2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cc2noc3cc(C)c(C)cc23)s1
InChIInChI=1S/C18H22N4O2S/c1-5-12(6-2)17-20-21-18(25-17)19-16(23)9-14-13-7-10(3)11(4)8-15(13)24-22-14/h7-8,12H,5-6,9H2,1-4H3,(H,19,21,23)
InChIKeyBQTHEENTIJLLID-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.38
Rot. Bonds6

About 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 108804317) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID108804317
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cc2noc3cc(C)c(C)cc23)s1
InChIInChI=1S/C18H22N4O2S/c1-5-12(6-2)17-20-21-18(25-17)19-16(23)9-14-13-7-10(3)11(4)8-15(13)24-22-14/h7-8,12H,5-6,9H2,1-4H3,(H,19,21,23)
InChIKeyBQTHEENTIJLLID-UHFFFAOYSA-N
XLogP4.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)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-(5,6-dimethyl-1-benzofuran-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 16551252
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108804264
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 108792125
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108739041
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108804375
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108803255
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-3-sulfanylpropanoic acid
CID 108792070
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108804334
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 108804393
2-(3-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18076264

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 108804317) is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCC(CC)c1nnc(NC(=O)Cc2noc3cc(C)c(C)cc23)s1.
What is the InChIKey of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BQTHEENTIJLLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-5-12(6-2)17-20-21-18(25-17)19-16(23)9-14-13-7-10(3)11(4)8-15(13)24-22-14/h7-8,12H,5-6,9H2,1-4H3,(H,19,21,23).
What are the key properties of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 108804317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).