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

C20H12F3N3O3 — CID 146493872

IUPACN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H12F3N3O3/c21-20(22,23)14-8-6-12(7-9-14)17(27)24-15-4-1-3-13(11-15)18-25-26-19(29-18)16-5-2-10-28-16/h1-11H,(H,24,27)
InChIKeyKCUVTFBSXPJEKM-UHFFFAOYSA-N
MW399.33 g/mol
LogP5.27
Rot. Bonds4

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

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 146493872) has the molecular formula C20H12F3N3O3 and a molecular weight of 399.33 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID146493872
Molecular FormulaC20H12F3N3O3
Molecular Weight399.33 g/mol
Exact Mass399.08
IUPAC NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H12F3N3O3/c21-20(22,23)14-8-6-12(7-9-14)17(27)24-15-4-1-3-13(11-15)18-25-26-19(29-18)16-5-2-10-28-16/h1-11H,(H,24,27)
InChIKeyKCUVTFBSXPJEKM-UHFFFAOYSA-N
XLogP5.27
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.33
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 146494133
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 142440079
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319990
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]pyridine-3-carboxamide
CID 142440215
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-hydroxybenzamide
CID 142440315
methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate
CID 146494289
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-6-methoxybenzamide
CID 142440100
3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide
CID 142440239
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide
CID 146493966
ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide
CID 142440037
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17018603

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 146493872) is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is KCUVTFBSXPJEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O3/c21-20(22,23)14-8-6-12(7-9-14)17(27)24-15-4-1-3-13(11-15)18-25-26-19(29-18)16-5-2-10-28-16/h1-11H,(H,24,27).
What are the key properties of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 399.33 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 146493872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).