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

C23H19N5O2 — CID 41479391

IUPACN-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)Nc1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C23H19N5O2/c29-21(9-10-22-27-23(28-30-22)18-11-14-24-15-12-18)26-20-6-3-4-17(16-20)7-8-19-5-1-2-13-25-19/h1-8,11-16H,9-10H2,(H,26,29)/b8-7+
InChIKeyOLKPNGFRUISIBE-BQYQJAHWSA-N
MW397.44 g/mol
LogP4.27
Rot. Bonds7

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

N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 41479391) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID41479391
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)Nc1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C23H19N5O2/c29-21(9-10-22-27-23(28-30-22)18-11-14-24-15-12-18)26-20-6-3-4-17(16-20)7-8-19-5-1-2-13-25-19/h1-8,11-16H,9-10H2,(H,26,29)/b8-7+
InChIKeyOLKPNGFRUISIBE-BQYQJAHWSA-N
XLogP4.27
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55878972
N-(3-hydroxy-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30212736
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780
3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide
CID 18267398
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
CID 46265246
N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17101587
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196
N-naphthalen-2-yl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9191876
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 137026775

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 41479391) is N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccncc2)no1)Nc1cccc(/C=C/c2ccccn2)c1.
What is the InChIKey of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OLKPNGFRUISIBE-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H19N5O2/c29-21(9-10-22-27-23(28-30-22)18-11-14-24-15-12-18)26-20-6-3-4-17(16-20)7-8-19-5-1-2-13-25-19/h1-8,11-16H,9-10H2,(H,26,29)/b8-7+.
What are the key properties of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 397.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 41479391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).