2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid

C16H11N3O5S — CID 141437755

IUPAC2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)n1
InChIInChI=1S/C16H11N3O5S/c20-13(19-16-18-10(6-24-16)15(21)22)11-7-25-14(17-11)9-1-2-12-8(5-9)3-4-23-12/h1-2,5-7H,3-4H2,(H,21,22)(H,18,19,20)
InChIKeyUJSDYCIRYJTWIO-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.68
Rot. Bonds4

About 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid

2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 141437755) has the molecular formula C16H11N3O5S and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid
PubChem CID141437755
Molecular FormulaC16H11N3O5S
Molecular Weight357.35 g/mol
Exact Mass357.04
IUPAC Name2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)n1
InChIInChI=1S/C16H11N3O5S/c20-13(19-16-18-10(6-24-16)15(21)22)11-7-25-14(17-11)9-1-2-12-8(5-9)3-4-23-12/h1-2,5-7H,3-4H2,(H,21,22)(H,18,19,20)
InChIKeyUJSDYCIRYJTWIO-UHFFFAOYSA-N
XLogP2.68
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

methyl 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 121339129
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25095743
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 70692361
methyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanoate
CID 100677303
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890568
2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide;ethane;methylamino N-ethylmethanimidothioate
CID 144760842
5-[(2-chlorophenyl)methoxy]-2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]pyran-4-one
CID 46084039
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[3-(4-ethylpiperazine-1-carbonyl)but-3-enyl]-5-methyl-2H-imidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 123598592
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 144760922

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid (CID 141437755) is 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)n1.
What is the InChIKey of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is UJSDYCIRYJTWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O5S/c20-13(19-16-18-10(6-24-16)15(21)22)11-7-25-14(17-11)9-1-2-12-8(5-9)3-4-23-12/h1-2,5-7H,3-4H2,(H,21,22)(H,18,19,20).
What are the key properties of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid?
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 357.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 141437755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).