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

C16H14N4O3S — CID 157017253

IUPACN-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide
SMILESCc1nc(C)c(-c2nnc(NC(=O)c3cccc4c3COC4)o2)s1
InChIInChI=1S/C16H14N4O3S/c1-8-13(24-9(2)17-8)15-19-20-16(23-15)18-14(21)11-5-3-4-10-6-22-7-12(10)11/h3-5H,6-7H2,1-2H3,(H,18,20,21)
InChIKeyYCPJHLQTIJCDLO-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.09
Rot. Bonds3

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

N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide (PubChem CID 157017253) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide
PubChem CID157017253
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide
SMILESCc1nc(C)c(-c2nnc(NC(=O)c3cccc4c3COC4)o2)s1
InChIInChI=1S/C16H14N4O3S/c1-8-13(24-9(2)17-8)15-19-20-16(23-15)18-14(21)11-5-3-4-10-6-22-7-12(10)11/h3-5H,6-7H2,1-2H3,(H,18,20,21)
InChIKeyYCPJHLQTIJCDLO-UHFFFAOYSA-N
XLogP3.09
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]oxane-4-carboxamide
CID 155496841
N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide
CID 162632240
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
CID 167755198
N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 51065186
2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602753
2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
CID 71780995
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 40956695
2,5-dichloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16854738
2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107689655
2-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244080
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 5154529
ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate
CID 45013153

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide?
The IUPAC name of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide (CID 157017253) is N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide is Cc1nc(C)c(-c2nnc(NC(=O)c3cccc4c3COC4)o2)s1.
What is the InChIKey of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide?
The InChIKey is YCPJHLQTIJCDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-8-13(24-9(2)17-8)15-19-20-16(23-15)18-14(21)11-5-3-4-10-6-22-7-12(10)11/h3-5H,6-7H2,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide?
N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-dihydro-2-benzofuran-4-carboxamide is sourced from PubChem (CID 157017253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).