N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide

C19H18N2O3 — CID 101078185

IUPACN-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide
SMILESCC(=O)Nc1cccc2c1OCC2(C)c1ccc2nc(C)oc2c1
InChIInChI=1S/C19H18N2O3/c1-11(22)20-16-6-4-5-14-18(16)23-10-19(14,3)13-7-8-15-17(9-13)24-12(2)21-15/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyILEKUVUIZYLOPR-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.79
Rot. Bonds2

About N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide

N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide (PubChem CID 101078185) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide
PubChem CID101078185
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide
SMILESCC(=O)Nc1cccc2c1OCC2(C)c1ccc2nc(C)oc2c1
InChIInChI=1S/C19H18N2O3/c1-11(22)20-16-6-4-5-14-18(16)23-10-19(14,3)13-7-8-15-17(9-13)24-12(2)21-15/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyILEKUVUIZYLOPR-UHFFFAOYSA-N
XLogP3.79
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide?
The IUPAC name of N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide (CID 101078185) is N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide.
What is the SMILES notation for N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide?
The canonical SMILES for N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide is CC(=O)Nc1cccc2c1OCC2(C)c1ccc2nc(C)oc2c1.
What is the InChIKey of N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide?
The InChIKey is ILEKUVUIZYLOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11(22)20-16-6-4-5-14-18(16)23-10-19(14,3)13-7-8-15-17(9-13)24-12(2)21-15/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide?
N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide has a molecular weight of 322.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide is sourced from PubChem (CID 101078185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).