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

C24H20ClN3O3 — CID 28718254

IUPACN-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H20ClN3O3/c1-2-30-20-11-7-6-10-19(20)22(29)26-21(16-12-14-18(25)15-13-16)24-28-27-23(31-24)17-8-4-3-5-9-17/h3-15,21H,2H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyMLHJLNBAHGATML-NRFANRHFSA-N
MW433.90 g/mol
LogP5.31
Rot. Bonds7

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

N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide (PubChem CID 28718254) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
PubChem CID28718254
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H20ClN3O3/c1-2-30-20-11-7-6-10-19(20)22(29)26-21(16-12-14-18(25)15-13-16)24-28-27-23(31-24)17-8-4-3-5-9-17/h3-15,21H,2H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyMLHJLNBAHGATML-NRFANRHFSA-N
XLogP5.31
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92873762
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
ethyl 2-[[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamoylamino]acetate
CID 28697919
4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46377580
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 28997526
N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350
2-ethoxy-N-[(R)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099750
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
2-(4-chlorophenyl)-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92895345
2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 22433640
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide
CID 27088552
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide (CID 28718254) is N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)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-ethoxybenzamide?
The InChIKey is MLHJLNBAHGATML-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-2-30-20-11-7-6-10-19(20)22(29)26-21(16-12-14-18(25)15-13-16)24-28-27-23(31-24)17-8-4-3-5-9-17/h3-15,21H,2H2,1H3,(H,26,29)/t21-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide?
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide has a molecular weight of 433.90 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-ethoxybenzamide is sourced from PubChem (CID 28718254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).