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

C19H20N4O4 — CID 55878972

IUPACN-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOCCOc1cccc(NC(=O)CCc2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C19H20N4O4/c1-25-11-12-26-16-4-2-3-15(13-16)21-17(24)5-6-18-22-19(23-27-18)14-7-9-20-10-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,21,24)
InChIKeyWDEIVAHKDKTNJJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.73
Rot. Bonds9

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

N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55878972) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55878972
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOCCOc1cccc(NC(=O)CCc2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C19H20N4O4/c1-25-11-12-26-16-4-2-3-15(13-16)21-17(24)5-6-18-22-19(23-27-18)14-7-9-20-10-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,21,24)
InChIKeyWDEIVAHKDKTNJJ-UHFFFAOYSA-N
XLogP2.73
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
N-[3-(cyanomethoxy)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55751971
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006872
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46594973
N-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354549
N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3159529
methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
CID 16765520
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160339
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
CID 46265246
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41479391

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55878972) is N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is COCCOc1cccc(NC(=O)CCc2nc(-c3ccncc3)no2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is WDEIVAHKDKTNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-25-11-12-26-16-4-2-3-15(13-16)21-17(24)5-6-18-22-19(23-27-18)14-7-9-20-10-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,21,24).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 368.39 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55878972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).