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

C15H16N2O4 — CID 112759204

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H16N2O4/c1-3-11-14(9(2)17-21-11)15(18)16-10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyTXZGLIHNSNKRPP-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.57
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 112759204) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID112759204
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H16N2O4/c1-3-11-14(9(2)17-21-11)15(18)16-10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyTXZGLIHNSNKRPP-UHFFFAOYSA-N
XLogP2.57
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 2441877
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethylfuran-3-carboxamide
CID 112521563
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
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4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 36653778
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
CID 110863326
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702324
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (CID 112759204) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is TXZGLIHNSNKRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-11-14(9(2)17-21-11)15(18)16-10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 112759204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).