N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H23N5O3 — CID 87006872

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(C)CCOc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C20H23N5O3/c1-25(2)13-14-27-17-5-3-16(4-6-17)22-18(26)7-8-19-23-20(24-28-19)15-9-11-21-12-10-15/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,22,26)
InChIKeyYYUKWJOOPUYKRR-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.64
Rot. Bonds9

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 87006872) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID87006872
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(C)CCOc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C20H23N5O3/c1-25(2)13-14-27-17-5-3-16(4-6-17)22-18(26)7-8-19-23-20(24-28-19)15-9-11-21-12-10-15/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,22,26)
InChIKeyYYUKWJOOPUYKRR-UHFFFAOYSA-N
XLogP2.64
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 87006872) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is CN(C)CCOc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is YYUKWJOOPUYKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-25(2)13-14-27-17-5-3-16(4-6-17)22-18(26)7-8-19-23-20(24-28-19)15-9-11-21-12-10-15/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,22,26).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 381.44 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 87006872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).