5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide

C23H17BrFN3O3 — CID 92700770

IUPAC5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F
InChIInChI=1S/C23H17BrFN3O3/c1-30-19-12-11-15(24)13-17(19)21(29)26-20(16-9-5-6-10-18(16)25)23-28-27-22(31-23)14-7-3-2-4-8-14/h2-13,20H,1H3,(H,26,29)/t20-/m0/s1
InChIKeySNGNSZBZTZOHBZ-FQEVSTJZSA-N
MW482.31 g/mol
LogP5.17
Rot. Bonds6

About 5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide

5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide (PubChem CID 92700770) has the molecular formula C23H17BrFN3O3 and a molecular weight of 482.31 g/mol. Its IUPAC name is 5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
PubChem CID92700770
Molecular FormulaC23H17BrFN3O3
Molecular Weight482.31 g/mol
Exact Mass481.04
IUPAC Name5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F
InChIInChI=1S/C23H17BrFN3O3/c1-30-19-12-11-15(24)13-17(19)21(29)26-20(16-9-5-6-10-18(16)25)23-28-27-22(31-23)14-7-3-2-4-8-14/h2-13,20H,1H3,(H,26,29)/t20-/m0/s1
InChIKeySNGNSZBZTZOHBZ-FQEVSTJZSA-N
XLogP5.17
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.31
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 92711139
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92873762
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-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide
CID 27017983
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
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
4-chloro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxy-5-methylaniline
CID 92656892

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide (CID 92700770) is 5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F.
What is the InChIKey of 5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is SNGNSZBZTZOHBZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H17BrFN3O3/c1-30-19-12-11-15(24)13-17(19)21(29)26-20(16-9-5-6-10-18(16)25)23-28-27-22(31-23)14-7-3-2-4-8-14/h2-13,20H,1H3,(H,26,29)/t20-/m0/s1.
What are the key properties of 5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide?
5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 482.31 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 92700770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).