5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide

C16H10ClN3O3S — CID 17013485

IUPAC5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nonc2-c2cccs2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H10ClN3O3S/c1-8-10-7-9(17)4-5-11(10)22-14(8)16(21)18-15-13(19-23-20-15)12-3-2-6-24-12/h2-7H,1H3,(H,18,20,21)
InChIKeyGMWVKZARZSMKCN-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.76
Rot. Bonds3

About 5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 17013485) has the molecular formula C16H10ClN3O3S and a molecular weight of 359.79 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID17013485
Molecular FormulaC16H10ClN3O3S
Molecular Weight359.79 g/mol
Exact Mass359.01
IUPAC Name5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nonc2-c2cccs2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H10ClN3O3S/c1-8-10-7-9(17)4-5-11(10)22-14(8)16(21)18-15-13(19-23-20-15)12-3-2-6-24-12/h2-7H,1H3,(H,18,20,21)
InChIKeyGMWVKZARZSMKCN-UHFFFAOYSA-N
XLogP4.76
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide (CID 17013485) is 5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nonc2-c2cccs2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is GMWVKZARZSMKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O3S/c1-8-10-7-9(17)4-5-11(10)22-14(8)16(21)18-15-13(19-23-20-15)12-3-2-6-24-12/h2-7H,1H3,(H,18,20,21).
What are the key properties of 5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17013485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).