N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide

C24H20FN3O4 — CID 92711139

IUPACN-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1OC
InChIInChI=1S/C24H20FN3O4/c1-30-19-13-12-16(14-20(19)31-2)22(29)26-21(17-10-6-7-11-18(17)25)24-28-27-23(32-24)15-8-4-3-5-9-15/h3-14,21H,1-2H3,(H,26,29)/t21-/m1/s1
InChIKeyJZWNROOFWDTEAS-OAQYLSRUSA-N
MW433.44 g/mol
LogP4.41
Rot. Bonds7

About N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide

N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide (PubChem CID 92711139) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
PubChem CID92711139
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC NameN-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1OC
InChIInChI=1S/C24H20FN3O4/c1-30-19-13-12-16(14-20(19)31-2)22(29)26-21(17-10-6-7-11-18(17)25)24-28-27-23(32-24)15-8-4-3-5-9-15/h3-14,21H,1-2H3,(H,26,29)/t21-/m1/s1
InChIKeyJZWNROOFWDTEAS-OAQYLSRUSA-N
XLogP4.41
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92700778
5-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 22434124
5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92700770
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
3-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711123
3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 20960250
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 92711135
N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 23004512
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 41143426
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide
CID 27017983
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92873762
N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide (CID 92711139) is N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1OC.
What is the InChIKey of N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
The InChIKey is JZWNROOFWDTEAS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-30-19-13-12-16(14-20(19)31-2)22(29)26-21(17-10-6-7-11-18(17)25)24-28-27-23(32-24)15-8-4-3-5-9-15/h3-14,21H,1-2H3,(H,26,29)/t21-/m1/s1.
What are the key properties of N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide has a molecular weight of 433.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 92711139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).