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

C25H21N3O3 — CID 162643573

IUPACN-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccc3ccccc3c2)no1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C25H21N3O3/c1-16(2)28(25(29)22-14-19-9-5-6-10-21(19)30-22)15-23-26-24(27-31-23)20-12-11-17-7-3-4-8-18(17)13-20/h3-14,16H,15H2,1-2H3
InChIKeyMSRGALXESAOGFA-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.69
Rot. Bonds5

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

N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 162643573) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID162643573
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccc3ccccc3c2)no1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C25H21N3O3/c1-16(2)28(25(29)22-14-19-9-5-6-10-21(19)30-22)15-23-26-24(27-31-23)20-12-11-17-7-3-4-8-18(17)13-20/h3-14,16H,15H2,1-2H3
InChIKeyMSRGALXESAOGFA-UHFFFAOYSA-N
XLogP5.69
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide (CID 162643573) is N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)N(Cc1nc(-c2ccc3ccccc3c2)no1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is MSRGALXESAOGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-16(2)28(25(29)22-14-19-9-5-6-10-21(19)30-22)15-23-26-24(27-31-23)20-12-11-17-7-3-4-8-18(17)13-20/h3-14,16H,15H2,1-2H3.
What are the key properties of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162643573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).