N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide

C18H12ClN3O2S — CID 16917365

IUPACN-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)o1)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H12ClN3O2S/c19-15-12-8-4-5-9-13(12)25-16(15)17(23)20-18-22-21-14(24-18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,20,22,23)
InChIKeyLVNNIHQYQQITIA-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.78
Rot. Bonds4

About N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide

N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 16917365) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID16917365
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)o1)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H12ClN3O2S/c19-15-12-8-4-5-9-13(12)25-16(15)17(23)20-18-22-21-14(24-18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,20,22,23)
InChIKeyLVNNIHQYQQITIA-UHFFFAOYSA-N
XLogP4.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 41179091
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16917381
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 43972655
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 56763933
3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 16821831
3-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 16821785
3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 23791817
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2851499
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 16917352

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide (CID 16917365) is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide is O=C(Nc1nnc(Cc2ccccc2)o1)c1sc2ccccc2c1Cl.
What is the InChIKey of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is LVNNIHQYQQITIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c19-15-12-8-4-5-9-13(12)25-16(15)17(23)20-18-22-21-14(24-18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,20,22,23).
What are the key properties of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide?
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 16917365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).