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

C11H13FN4O — CID 79718309

IUPAC1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C11H13FN4O/c1-7(13-2)5-10-15-11(16-17-10)9-4-3-8(12)6-14-9/h3-4,6-7,13H,5H2,1-2H3
InChIKeyYHFCJWPAWWLCCO-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.42
Rot. Bonds4

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

1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 79718309) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
PubChem CID79718309
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C11H13FN4O/c1-7(13-2)5-10-15-11(16-17-10)9-4-3-8(12)6-14-9/h3-4,6-7,13H,5H2,1-2H3
InChIKeyYHFCJWPAWWLCCO-UHFFFAOYSA-N
XLogP1.42
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (CID 79718309) is 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is CNC(C)Cc1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is YHFCJWPAWWLCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-7(13-2)5-10-15-11(16-17-10)9-4-3-8(12)6-14-9/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 236.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 79718309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).