5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid

C16H10N2O6S — CID 142774002

IUPAC5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2cccs2)c1C(=O)O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H10N2O6S/c19-14(8-3-4-9-10(6-8)23-7-22-9)17-15-12(16(20)21)13(18-24-15)11-2-1-5-25-11/h1-6H,7H2,(H,17,19)(H,20,21)
InChIKeyPWCYZNNXSPYJDM-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.08
Rot. Bonds4

About 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid

5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 142774002) has the molecular formula C16H10N2O6S and a molecular weight of 358.33 g/mol. Its IUPAC name is 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID142774002
Molecular FormulaC16H10N2O6S
Molecular Weight358.33 g/mol
Exact Mass358.03
IUPAC Name5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2cccs2)c1C(=O)O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H10N2O6S/c19-14(8-3-4-9-10(6-8)23-7-22-9)17-15-12(16(20)21)13(18-24-15)11-2-1-5-25-11/h1-6H,7H2,(H,17,19)(H,20,21)
InChIKeyPWCYZNNXSPYJDM-UHFFFAOYSA-N
XLogP3.08
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methylbut-2-enoylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
CID 142773910
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45284041
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 1329977
N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 53143344
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30333561
N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide
CID 123140654
N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 135912497
5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid
CID 16776296
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 53143107
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090051

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid (CID 142774002) is 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid is O=C(Nc1onc(-c2cccs2)c1C(=O)O)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is PWCYZNNXSPYJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O6S/c19-14(8-3-4-9-10(6-8)23-7-22-9)17-15-12(16(20)21)13(18-24-15)11-2-1-5-25-11/h1-6H,7H2,(H,17,19)(H,20,21).
What are the key properties of 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 358.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142774002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).