1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C10H9F2N3O — CID 106393758

IUPAC1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESFc1ccc(F)c(CNCc2ncon2)c1
InChIInChI=1S/C10H9F2N3O/c11-8-1-2-9(12)7(3-8)4-13-5-10-14-6-16-15-10/h1-3,6,13H,4-5H2
InChIKeyFUXDJXWJFUVAPQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.64
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106393758) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID106393758
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESFc1ccc(F)c(CNCc2ncon2)c1
InChIInChI=1S/C10H9F2N3O/c11-8-1-2-9(12)7(3-8)4-13-5-10-14-6-16-15-10/h1-3,6,13H,4-5H2
InChIKeyFUXDJXWJFUVAPQ-UHFFFAOYSA-N
XLogP1.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183458
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106399125
1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 114183785
1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393956
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581
1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182988
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106399000
2-fluoro-4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]benzoic acid
CID 106401821
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106393758) is 1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is Fc1ccc(F)c(CNCc2ncon2)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is FUXDJXWJFUVAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-8-1-2-9(12)7(3-8)4-13-5-10-14-6-16-15-10/h1-3,6,13H,4-5H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 225.20 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106393758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).