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

C23H18ClN3O2 — CID 28997526

IUPACN-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H18ClN3O2/c24-19-13-11-17(12-14-19)21(25-20(28)15-16-7-3-1-4-8-16)23-27-26-22(29-23)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,25,28)/t21-/m0/s1
InChIKeyXJEVWFJHBBNQGO-NRFANRHFSA-N
MW403.87 g/mol
LogP4.84
Rot. Bonds6

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

N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide (PubChem CID 28997526) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
PubChem CID28997526
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H18ClN3O2/c24-19-13-11-17(12-14-19)21(25-20(28)15-16-7-3-1-4-8-16)23-27-26-22(29-23)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,25,28)/t21-/m0/s1
InChIKeyXJEVWFJHBBNQGO-NRFANRHFSA-N
XLogP4.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92895345
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide
CID 26791757
1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
CID 29011530
1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92750553
N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
CID 28718254
ethyl 2-[[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamoylamino]acetate
CID 28697919
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea
CID 46345827
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea
CID 92750550
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 95099867
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 50795617

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide (CID 28997526) is N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The InChIKey is XJEVWFJHBBNQGO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-19-13-11-17(12-14-19)21(25-20(28)15-16-7-3-1-4-8-16)23-27-26-22(29-23)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,25,28)/t21-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide has a molecular weight of 403.87 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 28997526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).