3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide

C16H18N2O4 — CID 109468197

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccc3c(c2)CCO3)no1
InChIInChI=1S/C16H18N2O4/c1-2-18(6-7-19)16(20)15-10-13(17-22-15)11-3-4-14-12(9-11)5-8-21-14/h3-4,9-10,19H,2,5-8H2,1H3
InChIKeyVHYXCNBMXDVECH-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.73
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide (PubChem CID 109468197) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide
PubChem CID109468197
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccc3c(c2)CCO3)no1
InChIInChI=1S/C16H18N2O4/c1-2-18(6-7-19)16(20)15-10-13(17-22-15)11-3-4-14-12(9-11)5-8-21-14/h3-4,9-10,19H,2,5-8H2,1H3
InChIKeyVHYXCNBMXDVECH-UHFFFAOYSA-N
XLogP1.73
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
CID 110002452
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid
CID 120516834
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
ethyl 5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379362
N-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 60682298
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76936987
acetaldehyde;2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole;N-[2-(dimethylamino)ethyl]-N-ethyl-3-(methylamino)-1H-1,2,4-triazole-5-carboxamide
CID 144760882
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421
N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 109468168
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide
CID 3146119

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide (CID 109468197) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide is CCN(CCO)C(=O)c1cc(-c2ccc3c(c2)CCO3)no1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is VHYXCNBMXDVECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-18(6-7-19)16(20)15-10-13(17-22-15)11-3-4-14-12(9-11)5-8-21-14/h3-4,9-10,19H,2,5-8H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 109468197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).