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

C20H23N3O4 — CID 31163779

IUPAC3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC2(c3noc(C)n3)CCCCC2)oc2ccccc12
InChIInChI=1S/C20H23N3O4/c1-13-21-19(23-27-13)20(10-6-3-7-11-20)22-18(24)17-15(12-25-2)14-8-4-5-9-16(14)26-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,22,24)
InChIKeyVDOJAPUSTGQMOA-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.86
Rot. Bonds5

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

3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide (PubChem CID 31163779) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide
PubChem CID31163779
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC2(c3noc(C)n3)CCCCC2)oc2ccccc12
InChIInChI=1S/C20H23N3O4/c1-13-21-19(23-27-13)20(10-6-3-7-11-20)22-18(24)17-15(12-25-2)14-8-4-5-9-16(14)26-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,22,24)
InChIKeyVDOJAPUSTGQMOA-UHFFFAOYSA-N
XLogP3.86
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide (CID 31163779) is 3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)NC2(c3noc(C)n3)CCCCC2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide?
The InChIKey is VDOJAPUSTGQMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-21-19(23-27-13)20(10-6-3-7-11-20)22-18(24)17-15(12-25-2)14-8-4-5-9-16(14)26-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,22,24).
What are the key properties of 3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31163779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).