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

C17H18FN5O — CID 25282110

IUPACN-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C17H18FN5O/c1-23(2)10-9-19-15-8-7-12(11-20-15)17-21-16(22-24-17)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyDTTJJNWFIWIHNT-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.91
Rot. Bonds6

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

N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 25282110) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID25282110
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C17H18FN5O/c1-23(2)10-9-19-15-8-7-12(11-20-15)17-21-16(22-24-17)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyDTTJJNWFIWIHNT-UHFFFAOYSA-N
XLogP2.91
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine (CID 25282110) is N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccc(-c2nc(-c3ccccc3F)no2)cn1.
What is the InChIKey of N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is DTTJJNWFIWIHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-23(2)10-9-19-15-8-7-12(11-20-15)17-21-16(22-24-17)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 327.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 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'-dimethylethane-1,2-diamine is sourced from PubChem (CID 25282110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).