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

C18H17N3O3 — CID 6625938

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(-c2noc(CC(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O3/c1-21(14-6-4-3-5-7-14)17(22)12-16-19-18(20-24-16)13-8-10-15(23-2)11-9-13/h3-11H,12H2,1-2H3
InChIKeyLVQFTPFXBYTJMI-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.95
Rot. Bonds5

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

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide (PubChem CID 6625938) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
PubChem CID6625938
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(-c2noc(CC(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O3/c1-21(14-6-4-3-5-7-14)17(22)12-16-19-18(20-24-16)13-8-10-15(23-2)11-9-13/h3-11H,12H2,1-2H3
InChIKeyLVQFTPFXBYTJMI-UHFFFAOYSA-N
XLogP2.95
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide
CID 110677412
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide
CID 110626932
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
N-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20851563
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63344667
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 8836183
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43930983
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenoxybutanamide
CID 8875186
N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
CID 110630603
(2S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874773

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide (CID 6625938) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide is COc1ccc(-c2noc(CC(=O)N(C)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide?
The InChIKey is LVQFTPFXBYTJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21(14-6-4-3-5-7-14)17(22)12-16-19-18(20-24-16)13-8-10-15(23-2)11-9-13/h3-11H,12H2,1-2H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide has a molecular weight of 323.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 6625938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).