N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide

C24H20ClN3O4 — CID 27017983

IUPACN-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl
InChIInChI=1S/C24H20ClN3O4/c1-30-18-13-8-14-19(31-2)20(18)22(29)26-21(16-11-6-7-12-17(16)25)24-28-27-23(32-24)15-9-4-3-5-10-15/h3-14,21H,1-2H3,(H,26,29)/t21-/m1/s1
InChIKeyKZEPJBYWEPFMNR-OAQYLSRUSA-N
MW449.89 g/mol
LogP4.93
Rot. Bonds7

About N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide

N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide (PubChem CID 27017983) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide
PubChem CID27017983
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC NameN-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl
InChIInChI=1S/C24H20ClN3O4/c1-30-18-13-8-14-19(31-2)20(18)22(29)26-21(16-11-6-7-12-17(16)25)24-28-27-23(32-24)15-9-4-3-5-10-15/h3-14,21H,1-2H3,(H,26,29)/t21-/m1/s1
InChIKeyKZEPJBYWEPFMNR-OAQYLSRUSA-N
XLogP4.93
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.89
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711110
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide
CID 27088552
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)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92873762
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 92711139
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
CID 28718254
N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 92711167

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide (CID 27017983) is N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl.
What is the InChIKey of N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide?
The InChIKey is KZEPJBYWEPFMNR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-30-18-13-8-14-19(31-2)20(18)22(29)26-21(16-11-6-7-12-17(16)25)24-28-27-23(32-24)15-9-4-3-5-10-15/h3-14,21H,1-2H3,(H,26,29)/t21-/m1/s1.
What are the key properties of N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide?
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide has a molecular weight of 449.89 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 27017983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).