1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine

C14H17F2N3O2 — CID 103212002

IUPAC1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(CCOCC(F)F)o1
InChIInChI=1S/C14H17F2N3O2/c1-17-13(10-5-3-2-4-6-10)14-19-18-12(21-14)7-8-20-9-11(15)16/h2-6,11,13,17H,7-9H2,1H3
InChIKeyZXCHKHZXCFIFNL-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.20
Rot. Bonds8

About 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine

1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine (PubChem CID 103212002) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
PubChem CID103212002
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(CCOCC(F)F)o1
InChIInChI=1S/C14H17F2N3O2/c1-17-13(10-5-3-2-4-6-10)14-19-18-12(21-14)7-8-20-9-11(15)16/h2-6,11,13,17H,7-9H2,1H3
InChIKeyZXCHKHZXCFIFNL-UHFFFAOYSA-N
XLogP2.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 103212001
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62163381
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 103213366
2-[chloro(phenyl)methyl]-5-(2-ethoxyethyl)-1,3,4-oxadiazole
CID 55091885
2-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213879
2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103206274
5-[chloro(phenyl)methyl]-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145864
methyl 5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 103210021
N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 103211969
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine
CID 62164427
N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
CID 62162503
N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 103212000

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine (CID 103212002) is 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1nnc(CCOCC(F)F)o1.
What is the InChIKey of 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The InChIKey is ZXCHKHZXCFIFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-17-13(10-5-3-2-4-6-10)14-19-18-12(21-14)7-8-20-9-11(15)16/h2-6,11,13,17H,7-9H2,1H3.
What are the key properties of 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine has a molecular weight of 297.31 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 103212002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).