2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline

C13H9ClFN3O2 — CID 100657468

IUPAC2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
SMILESFc1cccc(Cl)c1NCc1noc(-c2ccoc2)n1
InChIInChI=1S/C13H9ClFN3O2/c14-9-2-1-3-10(15)12(9)16-6-11-17-13(20-18-11)8-4-5-19-7-8/h1-5,7,16H,6H2
InChIKeyNXEREUNVCNQNEE-UHFFFAOYSA-N
MW293.69 g/mol
LogP3.73
Rot. Bonds4

About 2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline

2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline (PubChem CID 100657468) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
PubChem CID100657468
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
SMILESFc1cccc(Cl)c1NCc1noc(-c2ccoc2)n1
InChIInChI=1S/C13H9ClFN3O2/c14-9-2-1-3-10(15)12(9)16-6-11-17-13(20-18-11)8-4-5-19-7-8/h1-5,7,16H,6H2
InChIKeyNXEREUNVCNQNEE-UHFFFAOYSA-N
XLogP3.73
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 99838002
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylaniline
CID 166314299
5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
CID 130708265
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341977
N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline
CID 75378202
3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole
CID 2739863
2-bromo-6-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746575
3-chloro-2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 78829242
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile
CID 95911598
2,6-dichloro-N-(furan-3-ylmethyl)aniline
CID 65468765
1-[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879923

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline?
The IUPAC name of 2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline (CID 100657468) is 2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline?
The canonical SMILES for 2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline is Fc1cccc(Cl)c1NCc1noc(-c2ccoc2)n1.
What is the InChIKey of 2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline?
The InChIKey is NXEREUNVCNQNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c14-9-2-1-3-10(15)12(9)16-6-11-17-13(20-18-11)8-4-5-19-7-8/h1-5,7,16H,6H2.
What are the key properties of 2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline?
2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline has a molecular weight of 293.69 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline is sourced from PubChem (CID 100657468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).