N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide

C18H13N3O3S — CID 43977755

IUPACN-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCSc1ccc(-c2nnc(NC(=O)c3cc4ccccc4o3)o2)cc1
InChIInChI=1S/C18H13N3O3S/c1-25-13-8-6-11(7-9-13)17-20-21-18(24-17)19-16(22)15-10-12-4-2-3-5-14(12)23-15/h2-10H,1H3,(H,19,21,22)
InChIKeyOMLRDMXPKWZAFO-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.46
Rot. Bonds4

About N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide

N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 43977755) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID43977755
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCSc1ccc(-c2nnc(NC(=O)c3cc4ccccc4o3)o2)cc1
InChIInChI=1S/C18H13N3O3S/c1-25-13-8-6-11(7-9-13)17-20-21-18(24-17)19-16(22)15-10-12-4-2-3-5-14(12)23-15/h2-10H,1H3,(H,19,21,22)
InChIKeyOMLRDMXPKWZAFO-UHFFFAOYSA-N
XLogP4.46
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43977757
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718301
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide
CID 3550447
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 43977817
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7295054
2,3-dimethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578119
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 40957457
4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578105
4-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7266989
3-butoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028171
5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977382

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide (CID 43977755) is N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide is CSc1ccc(-c2nnc(NC(=O)c3cc4ccccc4o3)o2)cc1.
What is the InChIKey of N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is OMLRDMXPKWZAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c1-25-13-8-6-11(7-9-13)17-20-21-18(24-17)19-16(22)15-10-12-4-2-3-5-14(12)23-15/h2-10H,1H3,(H,19,21,22).
What are the key properties of N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43977755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).