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

C18H16ClN3O2 — CID 110613289

IUPACN-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cccc(Cc3ccc(Cl)cc3)c2)no1
InChIInChI=1S/C18H16ClN3O2/c1-12-20-17(22-24-12)11-18(23)21-16-4-2-3-14(10-16)9-13-5-7-15(19)8-6-13/h2-8,10H,9,11H2,1H3,(H,21,23)
InChIKeyBBYOZGMQLYSSGH-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.80
Rot. Bonds5

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

N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 110613289) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID110613289
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cccc(Cc3ccc(Cl)cc3)c2)no1
InChIInChI=1S/C18H16ClN3O2/c1-12-20-17(22-24-12)11-18(23)21-16-4-2-3-14(10-16)9-13-5-7-15(19)8-6-13/h2-8,10H,9,11H2,1H3,(H,21,23)
InChIKeyBBYOZGMQLYSSGH-UHFFFAOYSA-N
XLogP3.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110621435
N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110428877
2-(4-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 46266992
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612977
N-(1H-indazol-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110675279
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970414
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110614500
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110608029
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110608150
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
N-(3-benzylphenyl)propanamide
CID 70797974
2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide
CID 53168881

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 110613289) is N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is Cc1nc(CC(=O)Nc2cccc(Cc3ccc(Cl)cc3)c2)no1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is BBYOZGMQLYSSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-20-17(22-24-12)11-18(23)21-16-4-2-3-14(10-16)9-13-5-7-15(19)8-6-13/h2-8,10H,9,11H2,1H3,(H,21,23).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 110613289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).