1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C5H7F2N3O — CID 62139576

IUPAC1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C(F)F)o1
InChIInChI=1S/C5H7F2N3O/c1-8-2-3-9-10-5(11-3)4(6)7/h4,8H,2H2,1H3
InChIKeyVXUJMYOGWSXGJB-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.73
Rot. Bonds3

About 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 62139576) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID62139576
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C(F)F)o1
InChIInChI=1S/C5H7F2N3O/c1-8-2-3-9-10-5(11-3)4(6)7/h4,8H,2H2,1H3
InChIKeyVXUJMYOGWSXGJB-UHFFFAOYSA-N
XLogP0.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 28065227
N'-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethane-1,2-diamine
CID 70458407
(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-YL)methanamine
CID 55263777
N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 83959787
[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid
CID 90424338
[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62069871
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62136861
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137035
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137238
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62137733
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137936
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137966

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 62139576) is 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(C(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is VXUJMYOGWSXGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c1-8-2-3-9-10-5(11-3)4(6)7/h4,8H,2H2,1H3.
What are the key properties of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 163.13 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62139576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).