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

C20H20N4O4 — CID 75117853

IUPAC3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)Nc1ccccc1OCc1noc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C20H20N4O4/c1-13(15-8-4-3-5-9-15)21-19(26)20-23-18(24-28-20)12-27-17-11-7-6-10-16(17)22-14(2)25/h3-11,13H,12H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyCRRADSGUDHOHRG-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.10
Rot. Bonds7

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

3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 75117853) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID75117853
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)Nc1ccccc1OCc1noc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C20H20N4O4/c1-13(15-8-4-3-5-9-15)21-19(26)20-23-18(24-28-20)12-27-17-11-7-6-10-16(17)22-14(2)25/h3-11,13H,12H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyCRRADSGUDHOHRG-UHFFFAOYSA-N
XLogP3.10
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-acetamidophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 45494912
3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide
CID 45495257
3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492028
3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335824
3-[(2-acetamidophenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492031
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5297983
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082816
3-[(4-chloropyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082957
3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534589
3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 75269878
3-(benzenesulfonylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 46354958
1-N-(2-ethoxyphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054483

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide (CID 75117853) is 3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide is CC(=O)Nc1ccccc1OCc1noc(C(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CRRADSGUDHOHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13(15-8-4-3-5-9-15)21-19(26)20-23-18(24-28-20)12-27-17-11-7-6-10-16(17)22-14(2)25/h3-11,13H,12H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.10, 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-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 75117853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).