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

C24H20ClN3O4 — CID 28760976

IUPACN-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C24H20ClN3O4/c1-30-19-12-17(13-20(14-19)31-2)22(29)26-21(15-6-4-3-5-7-15)24-28-27-23(32-24)16-8-10-18(25)11-9-16/h3-14,21H,1-2H3,(H,26,29)/t21-/m1/s1
InChIKeyIPUBAOACRGWQJC-OAQYLSRUSA-N
MW449.89 g/mol
LogP4.93
Rot. Bonds7

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

N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide (PubChem CID 28760976) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide
PubChem CID28760976
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC NameN-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C24H20ClN3O4/c1-30-19-12-17(13-20(14-19)31-2)22(29)26-21(15-6-4-3-5-7-15)24-28-27-23(32-24)16-8-10-18(25)11-9-16/h3-14,21H,1-2H3,(H,26,29)/t21-/m1/s1
InChIKeyIPUBAOACRGWQJC-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-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methoxybenzamide
CID 17252091
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea
CID 26791796
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2,5-dimethoxyphenyl)urea
CID 17252106
1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 28814790
2-(4-chlorophenyl)-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92895345
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethylphenyl)urea
CID 92891976
1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
CID 26791772
N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 23004512

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide (CID 28760976) is N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide?
The InChIKey is IPUBAOACRGWQJC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-30-19-12-17(13-20(14-19)31-2)22(29)26-21(15-6-4-3-5-7-15)24-28-27-23(32-24)16-8-10-18(25)11-9-16/h3-14,21H,1-2H3,(H,26,29)/t21-/m1/s1.
What are the key properties of N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide?
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-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)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 28760976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).