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

C19H13ClN2O3 — CID 19324415

IUPAC5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1cccc(OCc2ccc(-c3nc(-c4ccccc4)no3)o2)c1
InChIInChI=1S/C19H13ClN2O3/c20-14-7-4-8-15(11-14)23-12-16-9-10-17(24-16)19-21-18(22-25-19)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeySAXPIFYNHXEEQZ-UHFFFAOYSA-N
MW352.78 g/mol
LogP5.23
Rot. Bonds5

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

5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 19324415) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID19324415
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1cccc(OCc2ccc(-c3nc(-c4ccccc4)no3)o2)c1
InChIInChI=1S/C19H13ClN2O3/c20-14-7-4-8-15(11-14)23-12-16-9-10-17(24-16)19-21-18(22-25-19)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeySAXPIFYNHXEEQZ-UHFFFAOYSA-N
XLogP5.23
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.78
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324535
3-(4-fluorophenyl)-5-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19326221
5-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19330771
5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6461755
3-(4-fluorophenyl)-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19324674
3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326495
3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326321
5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 46329447
5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 8778801
1-[4-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methoxy]phenyl]ethanone
CID 19326322
3-(3-ethoxyphenyl)-5-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 45499683
5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326589

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole (CID 19324415) is 5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole is Clc1cccc(OCc2ccc(-c3nc(-c4ccccc4)no3)o2)c1.
What is the InChIKey of 5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is SAXPIFYNHXEEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-14-7-4-8-15(11-14)23-12-16-9-10-17(24-16)19-21-18(22-25-19)13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 352.78 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19324415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).