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

C20H21N3O3 — CID 110425375

IUPACN-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCCc1ccc(C)c(NC(=O)Cc2nc(-c3ccc(OC)cc3)no2)c1
InChIInChI=1S/C20H21N3O3/c1-4-14-6-5-13(2)17(11-14)21-18(24)12-19-22-20(23-26-19)15-7-9-16(25-3)10-8-15/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyGEOVVHUDWNXNFE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.80
Rot. Bonds6

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

N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide (PubChem CID 110425375) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
PubChem CID110425375
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCCc1ccc(C)c(NC(=O)Cc2nc(-c3ccc(OC)cc3)no2)c1
InChIInChI=1S/C20H21N3O3/c1-4-14-6-5-13(2)17(11-14)21-18(24)12-19-22-20(23-26-19)15-7-9-16(25-3)10-8-15/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyGEOVVHUDWNXNFE-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110420937
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 46274716
N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 46487349
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylbenzoate
CID 29350373
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
N-(5-bromo-2-methylphenyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55804444
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 38176839
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 110620811

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The IUPAC name of N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide (CID 110425375) is N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The canonical SMILES for N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide is CCc1ccc(C)c(NC(=O)Cc2nc(-c3ccc(OC)cc3)no2)c1.
What is the InChIKey of N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The InChIKey is GEOVVHUDWNXNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-14-6-5-13(2)17(11-14)21-18(24)12-19-22-20(23-26-19)15-7-9-16(25-3)10-8-15/h5-11H,4,12H2,1-3H3,(H,21,24).
What are the key properties of N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide is sourced from PubChem (CID 110425375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).