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

C18H17N3O3 — CID 2227139

IUPAC2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H17N3O3/c1-23-15-9-7-13(8-10-15)11-16(22)19-12-17-20-18(21-24-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyLUDQIEMILHSMDY-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.60
Rot. Bonds6

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

2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 2227139) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID2227139
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H17N3O3/c1-23-15-9-7-13(8-10-15)11-16(22)19-12-17-20-18(21-24-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyLUDQIEMILHSMDY-UHFFFAOYSA-N
XLogP2.60
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 2227139) is 2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is LUDQIEMILHSMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-9-7-13(8-10-15)11-16(22)19-12-17-20-18(21-24-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 2227139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).