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

C17H12N4O2S — CID 166386846

IUPACN-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCc1ncoc1-c1ccccc1)c1ccc2snnc2c1
InChIInChI=1S/C17H12N4O2S/c22-17(12-6-7-15-13(8-12)20-21-24-15)18-9-14-16(23-10-19-14)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,22)
InChIKeyVYVYLMVPFSVKQX-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.28
Rot. Bonds4

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

N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 166386846) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID166386846
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCc1ncoc1-c1ccccc1)c1ccc2snnc2c1
InChIInChI=1S/C17H12N4O2S/c22-17(12-6-7-15-13(8-12)20-21-24-15)18-9-14-16(23-10-19-14)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,22)
InChIKeyVYVYLMVPFSVKQX-UHFFFAOYSA-N
XLogP3.28
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide (CID 166386846) is N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide is O=C(NCc1ncoc1-c1ccccc1)c1ccc2snnc2c1.
What is the InChIKey of N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is VYVYLMVPFSVKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c22-17(12-6-7-15-13(8-12)20-21-24-15)18-9-14-16(23-10-19-14)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,22).
What are the key properties of N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide?
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 166386846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).