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

C20H21N3O2 — CID 3850705

IUPACN-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-13-8-9-17(15(3)12-13)21-18(24)10-11-19-22-20(23-25-19)16-7-5-4-6-14(16)2/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyUBBBLTCGHORQON-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.23
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3850705) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3850705
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-13-8-9-17(15(3)12-13)21-18(24)10-11-19-22-20(23-25-19)16-7-5-4-6-14(16)2/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyUBBBLTCGHORQON-UHFFFAOYSA-N
XLogP4.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3850705) is N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is UBBBLTCGHORQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-8-9-17(15(3)12-13)21-18(24)10-11-19-22-20(23-25-19)16-7-5-4-6-14(16)2/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3850705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).