N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide

C20H21N3O3 — CID 53055635

IUPACN-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide
SMILESCc1ccc(-c2nc(CCN(C)C(=O)COc3ccccc3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-15-8-10-16(11-9-15)20-21-18(22-26-20)12-13-23(2)19(24)14-25-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3
InChIKeyNQRUUKKKRYCJSH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.12
Rot. Bonds7

About N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide

N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide (PubChem CID 53055635) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide
PubChem CID53055635
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide
SMILESCc1ccc(-c2nc(CCN(C)C(=O)COc3ccccc3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-15-8-10-16(11-9-15)20-21-18(22-26-20)12-13-23(2)19(24)14-25-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3
InChIKeyNQRUUKKKRYCJSH-UHFFFAOYSA-N
XLogP3.12
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide
CID 53055639
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055628
4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055857
2-cyclopentyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 53055620
ethyl (3S)-3-[[methyl-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]amino]-3-phenylpropanoate
CID 95064664
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
N-benzyl-3-[2-[methyl-[2-(3-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818849
1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea
CID 53055195
N-[(4-chlorophenyl)methyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-methylacetamide
CID 50746918
N-methyl-N-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylacetamide
CID 50765647
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
CID 53055574

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide (CID 53055635) is N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide is Cc1ccc(-c2nc(CCN(C)C(=O)COc3ccccc3)no2)cc1.
What is the InChIKey of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is NQRUUKKKRYCJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15-8-10-16(11-9-15)20-21-18(22-26-20)12-13-23(2)19(24)14-25-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide?
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 351.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 53055635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).