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

C19H23N3O3 — CID 86982746

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1nc(C2(NC(=O)c3ccc4c(c3)CCO4)CCCCCC2)no1
InChIInChI=1S/C19H23N3O3/c1-13-20-18(22-25-13)19(9-4-2-3-5-10-19)21-17(23)15-6-7-16-14(12-15)8-11-24-16/h6-7,12H,2-5,8-11H2,1H3,(H,21,23)
InChIKeySROUAFHOOWRPPQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.29
Rot. Bonds3

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

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 86982746) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID86982746
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1nc(C2(NC(=O)c3ccc4c(c3)CCO4)CCCCCC2)no1
InChIInChI=1S/C19H23N3O3/c1-13-20-18(22-25-13)19(9-4-2-3-5-10-19)21-17(23)15-6-7-16-14(12-15)8-11-24-16/h6-7,12H,2-5,8-11H2,1H3,(H,21,23)
InChIKeySROUAFHOOWRPPQ-UHFFFAOYSA-N
XLogP3.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 86982746) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1nc(C2(NC(=O)c3ccc4c(c3)CCO4)CCCCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is SROUAFHOOWRPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-20-18(22-25-13)19(9-4-2-3-5-10-19)21-17(23)15-6-7-16-14(12-15)8-11-24-16/h6-7,12H,2-5,8-11H2,1H3,(H,21,23).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 86982746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).