N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide

C23H17ClFN3O2 — CID 26791757

IUPACN-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H17ClFN3O2/c24-18-11-9-17(10-12-18)22-27-28-23(30-22)21(16-6-2-1-3-7-16)26-20(29)14-15-5-4-8-19(25)13-15/h1-13,21H,14H2,(H,26,29)/t21-/m0/s1
InChIKeyXOGFYSXBWZKBMH-NRFANRHFSA-N
MW421.86 g/mol
LogP4.98
Rot. Bonds6

About N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide

N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 26791757) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide
PubChem CID26791757
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC NameN-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H17ClFN3O2/c24-18-11-9-17(10-12-18)22-27-28-23(30-22)21(16-6-2-1-3-7-16)26-20(29)14-15-5-4-8-19(25)13-15/h1-13,21H,14H2,(H,26,29)/t21-/m0/s1
InChIKeyXOGFYSXBWZKBMH-NRFANRHFSA-N
XLogP4.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 28997526
2-(4-chlorophenyl)-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92895345
1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
CID 29011530
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methoxybenzamide
CID 17252091
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide
CID 28760976
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
1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92750553
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3-methylphenyl)urea
CID 20960287
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethylphenyl)urea
CID 92891976

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide (CID 26791757) is N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is XOGFYSXBWZKBMH-NRFANRHFSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c24-18-11-9-17(10-12-18)22-27-28-23(30-22)21(16-6-2-1-3-7-16)26-20(29)14-15-5-4-8-19(25)13-15/h1-13,21H,14H2,(H,26,29)/t21-/m0/s1.
What are the key properties of N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide?
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 421.86 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 26791757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).