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

C20H21N3O4 — CID 15989968

IUPACN-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c1
InChIInChI=1S/C20H21N3O4/c1-13-4-6-14(7-5-13)20-22-19(27-23-20)11-10-18(24)21-16-12-15(25-2)8-9-17(16)26-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyKZEVIQGZHOESNJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.63
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 15989968) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID15989968
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c1
InChIInChI=1S/C20H21N3O4/c1-13-4-6-14(7-5-13)20-22-19(27-23-20)11-10-18(24)21-16-12-15(25-2)8-9-17(16)26-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyKZEVIQGZHOESNJ-UHFFFAOYSA-N
XLogP3.63
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 15989968) is N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(OC)c(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is KZEVIQGZHOESNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-4-6-14(7-5-13)20-22-19(27-23-20)11-10-18(24)21-16-12-15(25-2)8-9-17(16)26-3/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 367.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 15989968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).