2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine

C14H23N5O2 — CID 75375125

IUPAC2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine
SMILESC=CCNC(=NCc1nc(C(C)OCC)no1)NCC=C
InChIInChI=1S/C14H23N5O2/c1-5-8-15-14(16-9-6-2)17-10-12-18-13(19-21-12)11(4)20-7-3/h5-6,11H,1-2,7-10H2,3-4H3,(H2,15,16,17)
InChIKeyFTPXXXFMAKBYQJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.57
Rot. Bonds9

About 2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine

2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine (PubChem CID 75375125) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine.

Molecular Properties

Compound Name2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine
PubChem CID75375125
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine
SMILESC=CCNC(=NCc1nc(C(C)OCC)no1)NCC=C
InChIInChI=1S/C14H23N5O2/c1-5-8-15-14(16-9-6-2)17-10-12-18-13(19-21-12)11(4)20-7-3/h5-6,11H,1-2,7-10H2,3-4H3,(H2,15,16,17)
InChIKeyFTPXXXFMAKBYQJ-UHFFFAOYSA-N
XLogP1.57
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine?
The IUPAC name of 2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine (CID 75375125) is 2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine.
What is the SMILES notation for 2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine?
The canonical SMILES for 2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine is C=CCNC(=NCc1nc(C(C)OCC)no1)NCC=C.
What is the InChIKey of 2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine?
The InChIKey is FTPXXXFMAKBYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-8-15-14(16-9-6-2)17-10-12-18-13(19-21-12)11(4)20-7-3/h5-6,11H,1-2,7-10H2,3-4H3,(H2,15,16,17).
What are the key properties of 2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine?
2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine has a molecular weight of 293.37 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine is sourced from PubChem (CID 75375125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).