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

C20H21N3O2 — CID 3236292

IUPACN-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3C)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-8-10-16(11-9-14)20-21-18(25-22-20)12-13-19(24)23(3)17-7-5-4-6-15(17)2/h4-11H,12-13H2,1-3H3
InChIKeyBWEJATBNXNLABY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.95
Rot. Bonds5

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

N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3236292) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3236292
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3C)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-8-10-16(11-9-14)20-21-18(25-22-20)12-13-19(24)23(3)17-7-5-4-6-15(17)2/h4-11H,12-13H2,1-3H3
InChIKeyBWEJATBNXNLABY-UHFFFAOYSA-N
XLogP3.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3236292) is N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3C)n2)cc1.
What is the InChIKey of N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is BWEJATBNXNLABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-8-10-16(11-9-14)20-21-18(25-22-20)12-13-19(24)23(3)17-7-5-4-6-15(17)2/h4-11H,12-13H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3236292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).