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

C20H21N3O3 — CID 1258379

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NCc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C20H21N3O3/c1-13-9-14(2)15(3)17(10-13)25-12-18(24)21-11-19-22-20(23-26-19)16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyYUZBSMACDDPQEZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.36
Rot. Bonds6

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

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 1258379) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID1258379
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NCc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C20H21N3O3/c1-13-9-14(2)15(3)17(10-13)25-12-18(24)21-11-19-22-20(23-26-19)16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyYUZBSMACDDPQEZ-UHFFFAOYSA-N
XLogP3.36
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide (CID 1258379) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)NCc2nc(-c3ccccc3)no2)c1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is YUZBSMACDDPQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-9-14(2)15(3)17(10-13)25-12-18(24)21-11-19-22-20(23-26-19)16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 1258379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).