2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C11H11F2N3O — CID 115406813

IUPAC2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESFC(F)CNCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H11F2N3O/c12-9(13)6-14-7-10-15-16-11(17-10)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2
InChIKeyZATQTQTYBSZJSE-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.09
Rot. Bonds5

About 2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 115406813) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID115406813
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESFC(F)CNCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H11F2N3O/c12-9(13)6-14-7-10-15-16-11(17-10)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2
InChIKeyZATQTQTYBSZJSE-UHFFFAOYSA-N
XLogP2.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60976880
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
CID 5122987
1-(1,2-oxazol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 81177965
2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 106276224
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 78795471
2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62131084
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60975667
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 60647502
2,4-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870586
1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 62133800
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
CID 103746773

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 115406813) is 2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is FC(F)CNCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is ZATQTQTYBSZJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-9(13)6-14-7-10-15-16-11(17-10)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2.
What are the key properties of 2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 239.23 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 115406813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).