N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide

C15H12FN3O4S — CID 162506069

IUPACN-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3sccc3F)o2)c(OC)c1
InChIInChI=1S/C15H12FN3O4S/c1-21-8-3-4-9(11(7-8)22-2)13(20)17-15-19-18-14(23-15)12-10(16)5-6-24-12/h3-7H,1-2H3,(H,17,19,20)
InChIKeyGMSMCHWEPHWZHO-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.21
Rot. Bonds5

About N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide

N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide (PubChem CID 162506069) has the molecular formula C15H12FN3O4S and a molecular weight of 349.34 g/mol. Its IUPAC name is N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide
PubChem CID162506069
Molecular FormulaC15H12FN3O4S
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC NameN-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3sccc3F)o2)c(OC)c1
InChIInChI=1S/C15H12FN3O4S/c1-21-8-3-4-9(11(7-8)22-2)13(20)17-15-19-18-14(23-15)12-10(16)5-6-24-12/h3-7H,1-2H3,(H,17,19,20)
InChIKeyGMSMCHWEPHWZHO-UHFFFAOYSA-N
XLogP3.21
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide (CID 162506069) is N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nnc(-c3sccc3F)o2)c(OC)c1.
What is the InChIKey of N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide?
The InChIKey is GMSMCHWEPHWZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4S/c1-21-8-3-4-9(11(7-8)22-2)13(20)17-15-19-18-14(23-15)12-10(16)5-6-24-12/h3-7H,1-2H3,(H,17,19,20).
What are the key properties of N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide?
N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide has a molecular weight of 349.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 162506069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).