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

C23H21N3O4 — CID 131920932

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C23H21N3O4/c1-14-21(23(27)24-12-20-25-22(26-30-20)16-7-8-16)18-11-17(9-10-19(18)29-14)28-13-15-5-3-2-4-6-15/h2-6,9-11,16H,7-8,12-13H2,1H3,(H,24,27)
InChIKeyINSLIRBFPYOZEF-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.51
Rot. Bonds7

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide (PubChem CID 131920932) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
PubChem CID131920932
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C23H21N3O4/c1-14-21(23(27)24-12-20-25-22(26-30-20)16-7-8-16)18-11-17(9-10-19(18)29-14)28-13-15-5-3-2-4-6-15/h2-6,9-11,16H,7-8,12-13H2,1H3,(H,24,27)
InChIKeyINSLIRBFPYOZEF-UHFFFAOYSA-N
XLogP4.51
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide (CID 131920932) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NCc1nc(C2CC2)no1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The InChIKey is INSLIRBFPYOZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14-21(23(27)24-12-20-25-22(26-30-20)16-7-8-16)18-11-17(9-10-19(18)29-14)28-13-15-5-3-2-4-6-15/h2-6,9-11,16H,7-8,12-13H2,1H3,(H,24,27).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 131920932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).