N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine

C18H20FN5O — CID 70768290

IUPACN'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C18H20FN5O/c1-23(2)10-11-24(3)16-9-8-13(12-20-16)18-21-17(22-25-18)14-6-4-5-7-15(14)19/h4-9,12H,10-11H2,1-3H3
InChIKeyROPKVPKZRXENFQ-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.94
Rot. Bonds6

About N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 70768290) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID70768290
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C18H20FN5O/c1-23(2)10-11-24(3)16-9-8-13(12-20-16)18-21-17(22-25-18)14-6-4-5-7-15(14)19/h4-9,12H,10-11H2,1-3H3
InChIKeyROPKVPKZRXENFQ-UHFFFAOYSA-N
XLogP2.94
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

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Related Compounds

4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
1,2,4-Oxadiazole, 3,5-bis(3-pyridinyl)-
CID 577830
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
3-(Pyridin-2-yl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole
CID 9881610
5-(2-Fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2876920
Bas 07396695
CID 3156021
3-(5-Pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 647656
5-(3,5-Dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 912581
5-(3-Fluorophenyl)-3-(4-pyridyl)-1,2,4-oxadiazole
CID 1504248
3-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763864
2-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763880
2-[5-(3-Pyridinyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 798247

Frequently Asked Questions

What is the IUPAC name of N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine (CID 70768290) is N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)c1ccc(-c2nc(-c3ccccc3F)no2)cn1.
What is the InChIKey of N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is ROPKVPKZRXENFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-23(2)10-11-24(3)16-9-8-13(12-20-16)18-21-17(22-25-18)14-6-4-5-7-15(14)19/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 341.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 70768290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).