4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

C17H19N5O3S — CID 35271575

IUPAC4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1nonc1COc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1
InChIInChI=1S/C17H19N5O3S/c1-10(2)8-15-19-20-17(26-15)18-16(23)12-4-6-13(7-5-12)24-9-14-11(3)21-25-22-14/h4-7,10H,8-9H2,1-3H3,(H,18,20,23)
InChIKeyZWAIYPTTZUXKEB-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.26
Rot. Bonds7

About 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 35271575) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID35271575
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1nonc1COc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1
InChIInChI=1S/C17H19N5O3S/c1-10(2)8-15-19-20-17(26-15)18-16(23)12-4-6-13(7-5-12)24-9-14-11(3)21-25-22-14/h4-7,10H,8-9H2,1-3H3,(H,18,20,23)
InChIKeyZWAIYPTTZUXKEB-UHFFFAOYSA-N
XLogP3.26
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide
CID 35271562
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 26068513
4-ethoxy-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 86937929
3-methoxy-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51228862
4-chloro-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3349021
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31264698
5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 47114781
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8750173
5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 138993399
3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 24647665
4-methyl-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 858227
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 35271575) is 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1nonc1COc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1.
What is the InChIKey of 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is ZWAIYPTTZUXKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-10(2)8-15-19-20-17(26-15)18-16(23)12-4-6-13(7-5-12)24-9-14-11(3)21-25-22-14/h4-7,10H,8-9H2,1-3H3,(H,18,20,23).
What are the key properties of 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 373.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 35271575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).