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

C20H21N3O3 — CID 3239198

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)N(C)c3cccc(C)c3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-14-5-4-6-16(13-14)23(2)19(24)12-11-18-21-20(22-26-18)15-7-9-17(25-3)10-8-15/h4-10,13H,11-12H2,1-3H3
InChIKeyXLEGZCHXJOZSHG-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.65
Rot. Bonds6

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

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide (PubChem CID 3239198) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide
PubChem CID3239198
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)N(C)c3cccc(C)c3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-14-5-4-6-16(13-14)23(2)19(24)12-11-18-21-20(22-26-18)15-7-9-17(25-3)10-8-15/h4-10,13H,11-12H2,1-3H3
InChIKeyXLEGZCHXJOZSHG-UHFFFAOYSA-N
XLogP3.65
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 866890
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
CID 866891
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)propanamide
CID 1839545
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide
CID 3159507
N-{3-[4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-phenyl}-acetamide
CID 655521
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 665665
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 666363
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
CID 866833
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 866887
1-(4-Methoxyphenyl)-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 1086608
N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1250111

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide (CID 3239198) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide is COc1ccc(-c2noc(CCC(=O)N(C)c3cccc(C)c3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide?
The InChIKey is XLEGZCHXJOZSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-5-4-6-16(13-14)23(2)19(24)12-11-18-21-20(22-26-18)15-7-9-17(25-3)10-8-15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 3239198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).