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

C19H17N3O3 — CID 90650826

IUPACN-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCCc1noc(-c2ccccc2)n1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H17N3O3/c23-18(15-6-7-16-14(12-15)9-11-24-16)20-10-8-17-21-19(25-22-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,23)
InChIKeyGWXMKWUECDPEDE-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.64
Rot. Bonds5

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

N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 90650826) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID90650826
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCCc1noc(-c2ccccc2)n1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H17N3O3/c23-18(15-6-7-16-14(12-15)9-11-24-16)20-10-8-17-21-19(25-22-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,23)
InChIKeyGWXMKWUECDPEDE-UHFFFAOYSA-N
XLogP2.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 90650826) is N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NCCc1noc(-c2ccccc2)n1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is GWXMKWUECDPEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(15-6-7-16-14(12-15)9-11-24-16)20-10-8-17-21-19(25-22-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,23).
What are the key properties of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 90650826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).