3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline

C14H10ClFN4O — CID 79704899

IUPAC3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESFc1ccc(-c2noc(CNc3cccc(Cl)c3)n2)nc1
InChIInChI=1S/C14H10ClFN4O/c15-9-2-1-3-11(6-9)17-8-13-19-14(20-21-13)12-5-4-10(16)7-18-12/h1-7,17H,8H2
InChIKeyPMVPTUMTVHRRFW-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.54
Rot. Bonds4

About 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline

3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline (PubChem CID 79704899) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
PubChem CID79704899
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESFc1ccc(-c2noc(CNc3cccc(Cl)c3)n2)nc1
InChIInChI=1S/C14H10ClFN4O/c15-9-2-1-3-11(6-9)17-8-13-19-14(20-21-13)12-5-4-10(16)7-18-12/h1-7,17H,8H2
InChIKeyPMVPTUMTVHRRFW-UHFFFAOYSA-N
XLogP3.54
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The IUPAC name of 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline (CID 79704899) is 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline.
What is the SMILES notation for 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The canonical SMILES for 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline is Fc1ccc(-c2noc(CNc3cccc(Cl)c3)n2)nc1.
What is the InChIKey of 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The InChIKey is PMVPTUMTVHRRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-9-2-1-3-11(6-9)17-8-13-19-14(20-21-13)12-5-4-10(16)7-18-12/h1-7,17H,8H2.
What are the key properties of 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline has a molecular weight of 304.71 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline is sourced from PubChem (CID 79704899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).