3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

C19H17ClN4O4 — CID 45495301

IUPAC3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H17ClN4O4/c1-12(25)22-15-7-2-3-8-16(15)27-11-17-23-19(28-24-17)18(26)21-10-13-5-4-6-14(20)9-13/h2-9H,10-11H2,1H3,(H,21,26)(H,22,25)
InChIKeyOEHVAHLHFZIKGN-UHFFFAOYSA-N
MW400.82 g/mol
LogP3.19
Rot. Bonds7

About 3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45495301) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is 3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID45495301
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC Name3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H17ClN4O4/c1-12(25)22-15-7-2-3-8-16(15)27-11-17-23-19(28-24-17)18(26)21-10-13-5-4-6-14(20)9-13/h2-9H,10-11H2,1H3,(H,21,26)(H,22,25)
InChIKeyOEHVAHLHFZIKGN-UHFFFAOYSA-N
XLogP3.19
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-acetamidophenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492031
3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492028
3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 75117853
3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide
CID 45495257
3-[(2-acetamidophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 45494912
N-[(3-chlorophenyl)methyl]-3-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29131878
N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 46376628
3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45495123
N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide
CID 86995475
3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 29130987
3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91104503
N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45490762

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 45495301) is 3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is CC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2cccc(Cl)c2)n1.
What is the InChIKey of 3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OEHVAHLHFZIKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c1-12(25)22-15-7-2-3-8-16(15)27-11-17-23-19(28-24-17)18(26)21-10-13-5-4-6-14(20)9-13/h2-9H,10-11H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 400.82 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45495301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).