N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide

C20H17F2N3O2 — CID 53041769

IUPACN-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H17F2N3O2/c21-16-9-8-14(11-17(16)22)19(26)23-15-7-3-6-13(10-15)18-24-20(27-25-18)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H,23,26)
InChIKeyIFXJZODQVJCHPO-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.92
Rot. Bonds4

About N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide

N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide (PubChem CID 53041769) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
PubChem CID53041769
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC NameN-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H17F2N3O2/c21-16-9-8-14(11-17(16)22)19(26)23-15-7-3-6-13(10-15)18-24-20(27-25-18)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H,23,26)
InChIKeyIFXJZODQVJCHPO-UHFFFAOYSA-N
XLogP4.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide
CID 50779088
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide
CID 53057036
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
5-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
CID 53057030

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide (CID 53041769) is N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide is O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide?
The InChIKey is IFXJZODQVJCHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-16-9-8-14(11-17(16)22)19(26)23-15-7-3-6-13(10-15)18-24-20(27-25-18)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H,23,26).
What are the key properties of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide?
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide has a molecular weight of 369.37 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 53041769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).