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

C19H20N4O2 — CID 134043007

IUPAC3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2nc(-c3ccncc3)no2)c(C)c1
InChIInChI=1S/C19H20N4O2/c1-13-3-4-15(14(2)11-13)5-6-17(24)21-12-18-22-19(23-25-18)16-7-9-20-10-8-16/h3-4,7-11H,5-6,12H2,1-2H3,(H,21,24)
InChIKeyKZTAZIYMNBGTDP-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.00
Rot. Bonds6

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

3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 134043007) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID134043007
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2nc(-c3ccncc3)no2)c(C)c1
InChIInChI=1S/C19H20N4O2/c1-13-3-4-15(14(2)11-13)5-6-17(24)21-12-18-22-19(23-25-18)16-7-9-20-10-8-16/h3-4,7-11H,5-6,12H2,1-2H3,(H,21,24)
InChIKeyKZTAZIYMNBGTDP-UHFFFAOYSA-N
XLogP3.00
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 48670939
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
3-(3-methoxyphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134051001
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26051883
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098
N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39157817
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]butanamide
CID 131949873
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46697653
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31544496

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 134043007) is 3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is Cc1ccc(CCC(=O)NCc2nc(-c3ccncc3)no2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is KZTAZIYMNBGTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-3-4-15(14(2)11-13)5-6-17(24)21-12-18-22-19(23-25-18)16-7-9-20-10-8-16/h3-4,7-11H,5-6,12H2,1-2H3,(H,21,24).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 134043007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).