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

C13H12N4O2 — CID 46471626

IUPACN-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESC#CCNC(=O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C13H12N4O2/c1-2-7-15-11(18)5-6-12-16-13(17-19-12)10-4-3-8-14-9-10/h1,3-4,8-9H,5-7H2,(H,15,18)
InChIKeyOHRZGCJLWFUUTR-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.81
Rot. Bonds5

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

N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 46471626) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID46471626
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESC#CCNC(=O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C13H12N4O2/c1-2-7-15-11(18)5-6-12-16-13(17-19-12)10-4-3-8-14-9-10/h1,3-4,8-9H,5-7H2,(H,15,18)
InChIKeyOHRZGCJLWFUUTR-UHFFFAOYSA-N
XLogP0.81
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.81
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

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-ynylpropanamide
CID 18110149
N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N-(2-pyridin-2-ylethyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469135
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55980926
N-[4-(methylcarbamoylamino)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55626773
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
N-[2-(4-fluorophenoxy)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469483
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 46471626) is N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is C#CCNC(=O)CCc1nc(-c2cccnc2)no1.
What is the InChIKey of N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OHRZGCJLWFUUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-7-15-11(18)5-6-12-16-13(17-19-12)10-4-3-8-14-9-10/h1,3-4,8-9H,5-7H2,(H,15,18).
What are the key properties of N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 256.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 46471626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).