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

C10H11FN4O — CID 64955725

IUPAC3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(-c2ccncc2F)o1
InChIInChI=1S/C10H11FN4O/c11-8-6-13-5-3-7(8)10-15-14-9(16-10)2-1-4-12/h3,5-6H,1-2,4,12H2
InChIKeyRSBUSDPBLWCAIN-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.16
Rot. Bonds4

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

3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 64955725) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID64955725
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(-c2ccncc2F)o1
InChIInChI=1S/C10H11FN4O/c11-8-6-13-5-3-7(8)10-15-14-9(16-10)2-1-4-12/h3,5-6H,1-2,4,12H2
InChIKeyRSBUSDPBLWCAIN-UHFFFAOYSA-N
XLogP1.16
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
CID 64950082
3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 105064429
3-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070768
3-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81262985
3-[5-(2-fluoro-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55035144
3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 107952621
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070769
2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole
CID 66463788
5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619460
2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
CID 141446010
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 130516109

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 64955725) is 3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is NCCCc1nnc(-c2ccncc2F)o1.
What is the InChIKey of 3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is RSBUSDPBLWCAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c11-8-6-13-5-3-7(8)10-15-14-9(16-10)2-1-4-12/h3,5-6H,1-2,4,12H2.
What are the key properties of 3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 222.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 64955725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).