N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide

C20H12F3N3O4 — CID 146494133

IUPACN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H12F3N3O4/c21-20(22,23)30-15-7-2-4-12(11-15)17(27)24-14-6-1-5-13(10-14)18-25-26-19(29-18)16-8-3-9-28-16/h1-11H,(H,24,27)
InChIKeyPAVIJHOICLJYTH-UHFFFAOYSA-N
MW415.33 g/mol
LogP5.15
Rot. Bonds5

About N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 146494133) has the molecular formula C20H12F3N3O4 and a molecular weight of 415.33 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide
PubChem CID146494133
Molecular FormulaC20H12F3N3O4
Molecular Weight415.33 g/mol
Exact Mass415.08
IUPAC NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H12F3N3O4/c21-20(22,23)30-15-7-2-4-12(11-15)17(27)24-14-6-1-5-13(10-14)18-25-26-19(29-18)16-8-3-9-28-16/h1-11H,(H,24,27)
InChIKeyPAVIJHOICLJYTH-UHFFFAOYSA-N
XLogP5.15
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.33
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide 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

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 146493872
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 142440079
methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate
CID 146494289
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319990
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-6-methoxybenzamide
CID 142440100
3-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-2-carboxamide
CID 142440398
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-hydroxybenzamide
CID 142440315
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 142440215
3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2231472
3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide
CID 142440239
[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 3992027
ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide
CID 142440037

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide (CID 146494133) is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is PAVIJHOICLJYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O4/c21-20(22,23)30-15-7-2-4-12(11-15)17(27)24-14-6-1-5-13(10-14)18-25-26-19(29-18)16-8-3-9-28-16/h1-11H,(H,24,27).
What are the key properties of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide?
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 415.33 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 146494133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).