1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C13H16F2N4O2 — CID 120866604

IUPAC1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2ncccc2OCC(F)F)n1
InChIInChI=1S/C13H16F2N4O2/c1-8(16-2)6-11-18-13(21-19-11)12-9(4-3-5-17-12)20-7-10(14)15/h3-5,8,10,16H,6-7H2,1-2H3
InChIKeyPULVBBCFBHGFQK-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.93
Rot. Bonds7

About 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120866604) has the molecular formula C13H16F2N4O2 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120866604
Molecular FormulaC13H16F2N4O2
Molecular Weight298.29 g/mol
Exact Mass298.12
IUPAC Name1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2ncccc2OCC(F)F)n1
InChIInChI=1S/C13H16F2N4O2/c1-8(16-2)6-11-18-13(21-19-11)12-9(4-3-5-17-12)20-7-10(14)15/h3-5,8,10,16H,6-7H2,1-2H3
InChIKeyPULVBBCFBHGFQK-UHFFFAOYSA-N
XLogP1.93
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860849
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
1-[5-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867679
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 120868586
1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866510
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867649
N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867648
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
4-[[5-(3-prop-2-enoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 167775311
N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869465
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115079251

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120866604) is 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2ncccc2OCC(F)F)n1.
What is the InChIKey of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is PULVBBCFBHGFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O2/c1-8(16-2)6-11-18-13(21-19-11)12-9(4-3-5-17-12)20-7-10(14)15/h3-5,8,10,16H,6-7H2,1-2H3.
What are the key properties of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 298.29 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120866604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).