N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

C17H18N2O3 — CID 119072091

IUPACN-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)NCc3ccno3)coc2c1C
InChIInChI=1S/C17H18N2O3/c1-10-6-11(2)16-13(9-21-17(16)12(10)3)7-15(20)18-8-14-4-5-19-22-14/h4-6,9H,7-8H2,1-3H3,(H,18,20)
InChIKeyMRVIMFXKEGPFFZ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.20
Rot. Bonds4

About N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 119072091) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
PubChem CID119072091
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)NCc3ccno3)coc2c1C
InChIInChI=1S/C17H18N2O3/c1-10-6-11(2)16-13(9-21-17(16)12(10)3)7-15(20)18-8-14-4-5-19-22-14/h4-6,9H,7-8H2,1-3H3,(H,18,20)
InChIKeyMRVIMFXKEGPFFZ-UHFFFAOYSA-N
XLogP3.20
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (CID 119072091) is N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)NCc3ccno3)coc2c1C.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is MRVIMFXKEGPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-6-11(2)16-13(9-21-17(16)12(10)3)7-15(20)18-8-14-4-5-19-22-14/h4-6,9H,7-8H2,1-3H3,(H,18,20).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 119072091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).