5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole

C21H33N5O — CID 166258341

IUPAC5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCCN1CCN(CC)CCN(CCCc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H33N5O/c1-3-24-13-14-25(4-2)16-18-26(17-15-24)12-8-11-20-22-21(23-27-20)19-9-6-5-7-10-19/h5-7,9-10H,3-4,8,11-18H2,1-2H3
InChIKeyYLUUVVXDSVNGDM-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.63
Rot. Bonds7

About 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole

5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 166258341) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID166258341
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCCN1CCN(CC)CCN(CCCc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H33N5O/c1-3-24-13-14-25(4-2)16-18-26(17-15-24)12-8-11-20-22-21(23-27-20)19-9-6-5-7-10-19/h5-7,9-10H,3-4,8,11-18H2,1-2H3
InChIKeyYLUUVVXDSVNGDM-UHFFFAOYSA-N
XLogP2.63
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-phenyl-5-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1,2,4-oxadiazole
CID 52544370
5-[3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 55446107
N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide
CID 86912395
5-[(4-octylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
CID 155566908
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid
CID 119907371
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
3-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72841088
5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 56781667
1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55621672
4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine
CID 154393200

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole (CID 166258341) is 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole is CCN1CCN(CC)CCN(CCCc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is YLUUVVXDSVNGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-3-24-13-14-25(4-2)16-18-26(17-15-24)12-8-11-20-22-21(23-27-20)19-9-6-5-7-10-19/h5-7,9-10H,3-4,8,11-18H2,1-2H3.
What are the key properties of 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole?
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 371.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 166258341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).