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

C8H15N5O — CID 103743969

IUPAC1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCc1ncno1
InChIInChI=1S/C8H15N5O/c1-2-4-10-8(9)11-5-3-7-12-6-13-14-7/h6H,2-5H2,1H3,(H3,9,10,11)
InChIKeyONTDRSHWMOXNDB-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.07
Rot. Bonds5

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

1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine (PubChem CID 103743969) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine
PubChem CID103743969
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCc1ncno1
InChIInChI=1S/C8H15N5O/c1-2-4-10-8(9)11-5-3-7-12-6-13-14-7/h6H,2-5H2,1H3,(H3,9,10,11)
InChIKeyONTDRSHWMOXNDB-UHFFFAOYSA-N
XLogP-0.07
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
5-(2-Aminoethyl)-1,2,4-oxadiazol-3-amine
CID 54595504
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione
CID 91248085
3-Propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10750333
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine (CID 103743969) is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine is CCC/N=C(\N)NCCc1ncno1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine?
The InChIKey is ONTDRSHWMOXNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-2-4-10-8(9)11-5-3-7-12-6-13-14-7/h6H,2-5H2,1H3,(H3,9,10,11).
What are the key properties of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine?
1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine has a molecular weight of 197.24 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylguanidine is sourced from PubChem (CID 103743969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).