N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide

C21H25N3O4 — CID 162650076

IUPACN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3ccco3)no2)C(C)C)cc1
InChIInChI=1S/C21H25N3O4/c1-4-6-16-8-10-17(11-9-16)27-14-20(25)24(15(2)3)13-19-22-21(23-28-19)18-7-5-12-26-18/h5,7-12,15H,4,6,13-14H2,1-3H3
InChIKeyYAQRUTGDDDYJOJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.10
Rot. Bonds9

About N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide (PubChem CID 162650076) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
PubChem CID162650076
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3ccco3)no2)C(C)C)cc1
InChIInChI=1S/C21H25N3O4/c1-4-6-16-8-10-17(11-9-16)27-14-20(25)24(15(2)3)13-19-22-21(23-28-19)18-7-5-12-26-18/h5,7-12,15H,4,6,13-14H2,1-3H3
InChIKeyYAQRUTGDDDYJOJ-UHFFFAOYSA-N
XLogP4.10
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide (CID 162650076) is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)N(Cc2nc(-c3ccco3)no2)C(C)C)cc1.
What is the InChIKey of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
The InChIKey is YAQRUTGDDDYJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-6-16-8-10-17(11-9-16)27-14-20(25)24(15(2)3)13-19-22-21(23-28-19)18-7-5-12-26-18/h5,7-12,15H,4,6,13-14H2,1-3H3.
What are the key properties of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide has a molecular weight of 383.45 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 162650076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).