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

C12H15FN4O — CID 79719342

IUPAC2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H15FN4O/c1-7(2)9(5-14)12-16-11(17-18-12)10-4-3-8(13)6-15-10/h3-4,6-7,9H,5,14H2,1-2H3
InChIKeyPBZUJBPIVJTMNX-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.97
Rot. Bonds4

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

2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (PubChem CID 79719342) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
PubChem CID79719342
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H15FN4O/c1-7(2)9(5-14)12-16-11(17-18-12)10-4-3-8(13)6-15-10/h3-4,6-7,9H,5,14H2,1-2H3
InChIKeyPBZUJBPIVJTMNX-UHFFFAOYSA-N
XLogP1.97
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (CID 79719342) is 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is CC(C)C(CN)c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The InChIKey is PBZUJBPIVJTMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-7(2)9(5-14)12-16-11(17-18-12)10-4-3-8(13)6-15-10/h3-4,6-7,9H,5,14H2,1-2H3.
What are the key properties of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine has a molecular weight of 250.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 79719342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).