[2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine

C14H11FN4O — CID 174611350

IUPAC[2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc(-c3cccnc3)o2)cc1F
InChIInChI=1S/C14H11FN4O/c15-12-6-9(3-4-10(12)7-16)13-18-19-14(20-13)11-2-1-5-17-8-11/h1-6,8H,7,16H2
InChIKeyODNCFRUUHLBCCX-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.40
Rot. Bonds3

About [2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine

[2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine (PubChem CID 174611350) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is [2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
PubChem CID174611350
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name[2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc(-c3cccnc3)o2)cc1F
InChIInChI=1S/C14H11FN4O/c15-12-6-9(3-4-10(12)7-16)13-18-19-14(20-13)11-2-1-5-17-8-11/h1-6,8H,7,16H2
InChIKeyODNCFRUUHLBCCX-UHFFFAOYSA-N
XLogP2.40
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine (CID 174611350) is [2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine is NCc1ccc(-c2nnc(-c3cccnc3)o2)cc1F.
What is the InChIKey of [2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The InChIKey is ODNCFRUUHLBCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-12-6-9(3-4-10(12)7-16)13-18-19-14(20-13)11-2-1-5-17-8-11/h1-6,8H,7,16H2.
What are the key properties of [2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
[2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine has a molecular weight of 270.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 174611350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).