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

C14H10ClFN4O — CID 79704898

IUPAC4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESFc1ccc(-c2noc(CNc3ccc(Cl)cc3)n2)nc1
InChIInChI=1S/C14H10ClFN4O/c15-9-1-4-11(5-2-9)17-8-13-19-14(20-21-13)12-6-3-10(16)7-18-12/h1-7,17H,8H2
InChIKeyVJDSTSQULCYXPD-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.54
Rot. Bonds4

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

4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline (PubChem CID 79704898) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
PubChem CID79704898
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESFc1ccc(-c2noc(CNc3ccc(Cl)cc3)n2)nc1
InChIInChI=1S/C14H10ClFN4O/c15-9-1-4-11(5-2-9)17-8-13-19-14(20-21-13)12-6-3-10(16)7-18-12/h1-7,17H,8H2
InChIKeyVJDSTSQULCYXPD-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline (CID 79704898) is 4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline is Fc1ccc(-c2noc(CNc3ccc(Cl)cc3)n2)nc1.
What is the InChIKey of 4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The InChIKey is VJDSTSQULCYXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-9-1-4-11(5-2-9)17-8-13-19-14(20-21-13)12-6-3-10(16)7-18-12/h1-7,17H,8H2.
What are the key properties of 4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
4-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 4-chloro-N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]aniline is sourced from PubChem (CID 79704898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).