N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide

C18H15N3O5 — CID 53126253

IUPACN-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc2oc(-c3noc(CNC(=O)c4ccco4)n3)c(C)c2c1
InChIInChI=1S/C18H15N3O5/c1-10-12-8-11(23-2)5-6-13(12)25-16(10)17-20-15(26-21-17)9-19-18(22)14-4-3-7-24-14/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyJVFYEXWOARWFSD-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.32
Rot. Bonds5

About N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide

N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 53126253) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID53126253
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC NameN-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc2oc(-c3noc(CNC(=O)c4ccco4)n3)c(C)c2c1
InChIInChI=1S/C18H15N3O5/c1-10-12-8-11(23-2)5-6-13(12)25-16(10)17-20-15(26-21-17)9-19-18(22)14-4-3-7-24-14/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyJVFYEXWOARWFSD-UHFFFAOYSA-N
XLogP3.32
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104986
N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 53139190
N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104839
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
N-[2-(7-methoxynaphthalen-1-yl)ethyl]furan-2-carboxamide
CID 44581533
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 110324868
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 53081245
N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 83278485
N-[(2,4-dimethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110783199
2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 2997012
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104944
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 53126253) is N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is COc1ccc2oc(-c3noc(CNC(=O)c4ccco4)n3)c(C)c2c1.
What is the InChIKey of N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is JVFYEXWOARWFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-10-12-8-11(23-2)5-6-13(12)25-16(10)17-20-15(26-21-17)9-19-18(22)14-4-3-7-24-14/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 53126253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).