N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide

C17H19N5O5 — CID 25283142

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc(OC)c1OC
InChIInChI=1S/C17H19N5O5/c1-9-6-11(21-22(9)2)16-19-20-17(27-16)18-15(23)10-7-12(24-3)14(26-5)13(8-10)25-4/h6-8H,1-5H3,(H,18,20,23)
InChIKeyDMRYISVCSWTAQS-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.06
Rot. Bonds6

About N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide

N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 25283142) has the molecular formula C17H19N5O5 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID25283142
Molecular FormulaC17H19N5O5
Molecular Weight373.37 g/mol
Exact Mass373.14
IUPAC NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc(OC)c1OC
InChIInChI=1S/C17H19N5O5/c1-9-6-11(21-22(9)2)16-19-20-17(27-16)18-15(23)10-7-12(24-3)14(26-5)13(8-10)25-4/h6-8H,1-5H3,(H,18,20,23)
InChIKeyDMRYISVCSWTAQS-UHFFFAOYSA-N
XLogP2.06
TPSA113.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3,4-dimethoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7533120
4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25283215
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 25283241
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 43976692
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 25283247
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 4246879
3-propan-2-ylsulfanyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41146715
N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7533132
N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide
CID 26433729
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7244051
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7533252
3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135520809

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide (CID 25283142) is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc(OC)c1OC.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is DMRYISVCSWTAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5/c1-9-6-11(21-22(9)2)16-19-20-17(27-16)18-15(23)10-7-12(24-3)14(26-5)13(8-10)25-4/h6-8H,1-5H3,(H,18,20,23).
What are the key properties of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 373.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 25283142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).