N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H16N4O2 — CID 30292521

IUPACN-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NCC#Cc1ccccc1
InChIInChI=1S/C19H16N4O2/c24-17(21-12-4-7-15-5-2-1-3-6-15)8-9-18-22-19(23-25-18)16-10-13-20-14-11-16/h1-3,5-6,10-11,13-14H,8-9,12H2,(H,21,24)
InChIKeyNGAIVRKRBDGLSH-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.23
Rot. Bonds5

About N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 30292521) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID30292521
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NCC#Cc1ccccc1
InChIInChI=1S/C19H16N4O2/c24-17(21-12-4-7-15-5-2-1-3-6-15)8-9-18-22-19(23-25-18)16-10-13-20-14-11-16/h1-3,5-6,10-11,13-14H,8-9,12H2,(H,21,24)
InChIKeyNGAIVRKRBDGLSH-UHFFFAOYSA-N
XLogP2.23
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135441
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[2-(tert-butylamino)-2-oxoethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30238639
N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17101587
N-[(2-phenylcyclopropyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 71931854
4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119357384
N-methylsulfonyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 146154109
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110204727
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46493557
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 30292521) is N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccncc2)no1)NCC#Cc1ccccc1.
What is the InChIKey of N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is NGAIVRKRBDGLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-17(21-12-4-7-15-5-2-1-3-6-15)8-9-18-22-19(23-25-18)16-10-13-20-14-11-16/h1-3,5-6,10-11,13-14H,8-9,12H2,(H,21,24).
What are the key properties of N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 332.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 30292521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).