N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

C18H21N3O3 — CID 56747343

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1nc(CN(C)C(=O)Cc2coc3c(C)c(C)cc(C)c23)no1
InChIInChI=1S/C18H21N3O3/c1-10-6-11(2)17-14(9-23-18(17)12(10)3)7-16(22)21(5)8-15-19-13(4)24-20-15/h6,9H,7-8H2,1-5H3
InChIKeyWOHLZVFKCJSBMA-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.25
Rot. Bonds4

About N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 56747343) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
PubChem CID56747343
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1nc(CN(C)C(=O)Cc2coc3c(C)c(C)cc(C)c23)no1
InChIInChI=1S/C18H21N3O3/c1-10-6-11(2)17-14(9-23-18(17)12(10)3)7-16(22)21(5)8-15-19-13(4)24-20-15/h6,9H,7-8H2,1-5H3
InChIKeyWOHLZVFKCJSBMA-UHFFFAOYSA-N
XLogP3.25
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (CID 56747343) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is Cc1nc(CN(C)C(=O)Cc2coc3c(C)c(C)cc(C)c23)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is WOHLZVFKCJSBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-10-6-11(2)17-14(9-23-18(17)12(10)3)7-16(22)21(5)8-15-19-13(4)24-20-15/h6,9H,7-8H2,1-5H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 56747343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).