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

C16H12N2O4S — CID 4777058

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H12N2O4S/c19-16(11-9-14(22-18-11)15-2-1-7-23-15)17-10-3-4-12-13(8-10)21-6-5-20-12/h1-4,7-9H,5-6H2,(H,17,19)
InChIKeyYXDNBOZCNNOXIP-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.43
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 4777058) 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-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID4777058
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H12N2O4S/c19-16(11-9-14(22-18-11)15-2-1-7-23-15)17-10-3-4-12-13(8-10)21-6-5-20-12/h1-4,7-9H,5-6H2,(H,17,19)
InChIKeyYXDNBOZCNNOXIP-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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Related Compounds

N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 99598969
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55609816
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55484093
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-2-thiophen-2-ylacetamide
CID 94297417
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 47220492
N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022321
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 56557476
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122298311

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 4777058) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is YXDNBOZCNNOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-16(11-9-14(22-18-11)15-2-1-7-23-15)17-10-3-4-12-13(8-10)21-6-5-20-12/h1-4,7-9H,5-6H2,(H,17,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-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-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4777058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).