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

C23H18ClN3O2 — CID 27088552

IUPACN-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O2/c1-15-9-5-6-12-17(15)21(28)25-20(18-13-7-8-14-19(18)24)23-27-26-22(29-23)16-10-3-2-4-11-16/h2-14,20H,1H3,(H,25,28)/t20-/m1/s1
InChIKeyRTIYBRHNNROGLB-HXUWFJFHSA-N
MW403.87 g/mol
LogP5.22
Rot. Bonds5

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

N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide (PubChem CID 27088552) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide
PubChem CID27088552
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O2/c1-15-9-5-6-12-17(15)21(28)25-20(18-13-7-8-14-19(18)24)23-27-26-22(29-23)16-10-3-2-4-11-16/h2-14,20H,1H3,(H,25,28)/t20-/m1/s1
InChIKeyRTIYBRHNNROGLB-HXUWFJFHSA-N
XLogP5.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-2,6-dimethoxybenzamide
CID 27017983
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)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
CID 28718254
2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 22433640
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
5-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 22434124
5-chloro-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92700778
3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 92711128
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92873762
2-methyl-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159686

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide (CID 27088552) is N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide is Cc1ccccc1C(=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-methylbenzamide?
The InChIKey is RTIYBRHNNROGLB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-15-9-5-6-12-17(15)21(28)25-20(18-13-7-8-14-19(18)24)23-27-26-22(29-23)16-10-3-2-4-11-16/h2-14,20H,1H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide?
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide has a molecular weight of 403.87 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-methylbenzamide is sourced from PubChem (CID 27088552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).