5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine

C13H17FN4O — CID 137342888

IUPAC5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CN(C)C)o1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN4O/c1-9(10-4-6-11(14)7-5-10)15-13-17-16-12(19-13)8-18(2)3/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeyDNZUGORIGVDIEZ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.44
Rot. Bonds5

About 5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine

5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 137342888) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID137342888
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CN(C)C)o1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN4O/c1-9(10-4-6-11(14)7-5-10)15-13-17-16-12(19-13)8-18(2)3/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeyDNZUGORIGVDIEZ-UHFFFAOYSA-N
XLogP2.44
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970455
5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137343503
5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 97210352
5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine
CID 137341731
N-[1-(4-bromophenyl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971273
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 114015374
N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970950
N-[1-(3-fluorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970761
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propan-2-ol
CID 62334129
N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 167862956
2-[1-(4-fluorophenyl)ethyl]-1,1-dimethylhydrazine
CID 83003219
5-bromo-N-[1-(4-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624917

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 137342888) is 5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is CC(Nc1nnc(CN(C)C)o1)c1ccc(F)cc1.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DNZUGORIGVDIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-9(10-4-6-11(14)7-5-10)15-13-17-16-12(19-13)8-18(2)3/h4-7,9H,8H2,1-3H3,(H,15,17).
What are the key properties of 5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 264.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137342888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).