[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine

C10H6ClF4N3O — CID 165392256

IUPAC[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(-c2noc(C(F)(F)Cl)n2)cc1F
InChIInChI=1S/C10H6ClF4N3O/c11-10(14,15)9-17-8(18-19-9)5-2-6(12)4(3-16)1-7(5)13/h1-2H,3,16H2
InChIKeyODQLGPCOSMGWLS-UHFFFAOYSA-N
MW295.62 g/mol
LogP2.76
Rot. Bonds3

About [4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine

[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine (PubChem CID 165392256) has the molecular formula C10H6ClF4N3O and a molecular weight of 295.62 g/mol. Its IUPAC name is [4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine
PubChem CID165392256
Molecular FormulaC10H6ClF4N3O
Molecular Weight295.62 g/mol
Exact Mass295.01
IUPAC Name[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(-c2noc(C(F)(F)Cl)n2)cc1F
InChIInChI=1S/C10H6ClF4N3O/c11-10(14,15)9-17-8(18-19-9)5-2-6(12)4(3-16)1-7(5)13/h1-2H,3,16H2
InChIKeyODQLGPCOSMGWLS-UHFFFAOYSA-N
XLogP2.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.62
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]methanamine;hydrochloride
CID 175801188
[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
[3-[5-(1,1-difluoroethyl)-2-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117395718
[3-(5-bromo-2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117491798
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-2-methylbenzoic acid
CID 117380462
2-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107537151
2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 155708425
[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117335867
amino-[3-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanethiol
CID 161410790
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308039
4-bromo-2-chloro-N-[[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]methyl-methylphosphoryl]aniline
CID 162734182
3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 104632808

Frequently Asked Questions

What is the IUPAC name of [4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine?
The IUPAC name of [4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine (CID 165392256) is [4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine?
The canonical SMILES for [4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine is NCc1cc(F)c(-c2noc(C(F)(F)Cl)n2)cc1F.
What is the InChIKey of [4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine?
The InChIKey is ODQLGPCOSMGWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF4N3O/c11-10(14,15)9-17-8(18-19-9)5-2-6(12)4(3-16)1-7(5)13/h1-2H,3,16H2.
What are the key properties of [4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine?
[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine has a molecular weight of 295.62 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine is sourced from PubChem (CID 165392256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).