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

C22H22N6O2 — CID 78869662

IUPACN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)CCc2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C22H22N6O2/c1-14-10-15(2)12-17(11-14)28-19(13-16(3)26-28)24-20(29)7-8-21-25-22(27-30-21)18-6-4-5-9-23-18/h4-6,9-13H,7-8H2,1-3H3,(H,24,29)
InChIKeyTVCFFGXLZZYIRR-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.81
Rot. Bonds6

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

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 78869662) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID78869662
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)CCc2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C22H22N6O2/c1-14-10-15(2)12-17(11-14)28-19(13-16(3)26-28)24-20(29)7-8-21-25-22(27-30-21)18-6-4-5-9-23-18/h4-6,9-13H,7-8H2,1-3H3,(H,24,29)
InChIKeyTVCFFGXLZZYIRR-UHFFFAOYSA-N
XLogP3.81
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
1-(2,5-dimethylphenyl)-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea
CID 86985401
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
N-(4-piperidin-1-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78867689
N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980573
N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 33129363
N-(2,5-dimethylpyrazol-3-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46472839
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
N-[3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 38856002
N-[5-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354737

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 78869662) is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1cc(C)cc(-n2nc(C)cc2NC(=O)CCc2nc(-c3ccccn3)no2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is TVCFFGXLZZYIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14-10-15(2)12-17(11-14)28-19(13-16(3)26-28)24-20(29)7-8-21-25-22(27-30-21)18-6-4-5-9-23-18/h4-6,9-13H,7-8H2,1-3H3,(H,24,29).
What are the key properties of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 402.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 78869662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).