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

C18H16N2O4S — CID 55484093

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H16N2O4S/c1-20(11-12-4-5-14-15(9-12)23-7-6-22-14)18(21)13-10-16(24-19-13)17-3-2-8-25-17/h2-5,8-10H,6-7,11H2,1H3
InChIKeyCWGZIMQJMVTLDQ-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.45
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 55484093) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID55484093
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H16N2O4S/c1-20(11-12-4-5-14-15(9-12)23-7-6-22-14)18(21)13-10-16(24-19-13)17-3-2-8-25-17/h2-5,8-10H,6-7,11H2,1H3
InChIKeyCWGZIMQJMVTLDQ-UHFFFAOYSA-N
XLogP3.45
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 38744450
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 35701637
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18226295
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35701623
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
CID 64510105
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylthiophene-3-carboxamide
CID 60735731
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-2-carboxamide
CID 55372223
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 31363980
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 71902145
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305505

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 55484093) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is CWGZIMQJMVTLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-20(11-12-4-5-14-15(9-12)23-7-6-22-14)18(21)13-10-16(24-19-13)17-3-2-8-25-17/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 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-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55484093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).