N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide

C20H14ClN3O4 — CID 3236488

IUPACN-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(COc3ccccc3Cl)n2)cc1)c1ccco1
InChIInChI=1S/C20H14ClN3O4/c21-15-4-1-2-5-16(15)27-12-18-23-19(24-28-18)13-7-9-14(10-8-13)22-20(25)17-6-3-11-26-17/h1-11H,12H2,(H,22,25)
InChIKeyWXDJTSUCRJJSEM-UHFFFAOYSA-N
MW395.80 g/mol
LogP4.81
Rot. Bonds6

About N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide

N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 3236488) has the molecular formula C20H14ClN3O4 and a molecular weight of 395.80 g/mol. Its IUPAC name is N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID3236488
Molecular FormulaC20H14ClN3O4
Molecular Weight395.80 g/mol
Exact Mass395.07
IUPAC NameN-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(COc3ccccc3Cl)n2)cc1)c1ccco1
InChIInChI=1S/C20H14ClN3O4/c21-15-4-1-2-5-16(15)27-12-18-23-19(24-28-18)13-7-9-14(10-8-13)22-20(25)17-6-3-11-26-17/h1-11H,12H2,(H,22,25)
InChIKeyWXDJTSUCRJJSEM-UHFFFAOYSA-N
XLogP4.81
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (CID 3236488) is N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2noc(COc3ccccc3Cl)n2)cc1)c1ccco1.
What is the InChIKey of N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is WXDJTSUCRJJSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O4/c21-15-4-1-2-5-16(15)27-12-18-23-19(24-28-18)13-7-9-14(10-8-13)22-20(25)17-6-3-11-26-17/h1-11H,12H2,(H,22,25).
What are the key properties of N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 395.80 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 3236488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).