N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide

C17H14N4O3S — CID 146075244

IUPACN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1noc(C)c1-c1ccc(CNC(=O)c2ccc3nsnc3c2)o1
InChIInChI=1S/C17H14N4O3S/c1-9-16(10(2)24-19-9)15-6-4-12(23-15)8-18-17(22)11-3-5-13-14(7-11)21-25-20-13/h3-7H,8H2,1-2H3,(H,18,22)
InChIKeyLGSRPWSLDIGSDC-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.49
Rot. Bonds4

About N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 146075244) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID146075244
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC NameN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1noc(C)c1-c1ccc(CNC(=O)c2ccc3nsnc3c2)o1
InChIInChI=1S/C17H14N4O3S/c1-9-16(10(2)24-19-9)15-6-4-12(23-15)8-18-17(22)11-3-5-13-14(7-11)21-25-20-13/h3-7H,8H2,1-2H3,(H,18,22)
InChIKeyLGSRPWSLDIGSDC-UHFFFAOYSA-N
XLogP3.49
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide with MolForge

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Related Compounds

N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 146074982
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide
CID 146080882
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122678
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 146080768
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122153
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110669843
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 146075244) is N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide is Cc1noc(C)c1-c1ccc(CNC(=O)c2ccc3nsnc3c2)o1.
What is the InChIKey of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is LGSRPWSLDIGSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-9-16(10(2)24-19-9)15-6-4-12(23-15)8-18-17(22)11-3-5-13-14(7-11)21-25-20-13/h3-7H,8H2,1-2H3,(H,18,22).
What are the key properties of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 146075244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).