N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide

C7H11N3O2 — CID 103744036

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1ncno1
InChIInChI=1S/C7H11N3O2/c1-2-6(11)8-4-3-7-9-5-10-12-7/h5H,2-4H2,1H3,(H,8,11)
InChIKeyZJNRUIGVSJLGJV-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.14
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 103744036) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID103744036
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1ncno1
InChIInChI=1S/C7H11N3O2/c1-2-6(11)8-4-3-7-9-5-10-12-7/h5H,2-4H2,1H3,(H,8,11)
InChIKeyZJNRUIGVSJLGJV-UHFFFAOYSA-N
XLogP0.14
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 10701847
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397241
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106399678

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 103744036) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is CCC(=O)NCCc1ncno1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is ZJNRUIGVSJLGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-6(11)8-4-3-7-9-5-10-12-7/h5H,2-4H2,1H3,(H,8,11).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 169.18 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 103744036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).