N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C16H12N2O4S — CID 16669239

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ncoc1-c1cccs1
InChIInChI=1S/C16H12N2O4S/c19-16(14-15(22-9-17-14)13-2-1-7-23-13)18-10-3-4-11-12(8-10)21-6-5-20-11/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyCZHAAKPMYDJEHC-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.43
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 16669239) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID16669239
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ncoc1-c1cccs1
InChIInChI=1S/C16H12N2O4S/c19-16(14-15(22-9-17-14)13-2-1-7-23-13)18-10-3-4-11-12(8-10)21-6-5-20-11/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyCZHAAKPMYDJEHC-UHFFFAOYSA-N
XLogP3.43
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 16669239) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ncoc1-c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is CZHAAKPMYDJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-16(14-15(22-9-17-14)13-2-1-7-23-13)18-10-3-4-11-12(8-10)21-6-5-20-11/h1-4,7-9H,5-6H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 16669239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).