5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine

C11H13FN4O — CID 106970572

IUPAC5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(c1ccc(F)cc1)c1nnc(CCN)o1
InChIInChI=1S/C11H13FN4O/c1-16(9-4-2-8(12)3-5-9)11-15-14-10(17-11)6-7-13/h2-5H,6-7,13H2,1H3
InChIKeyQTFWHFZWIYKWDG-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.48
Rot. Bonds4

About 5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106970572) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106970572
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(c1ccc(F)cc1)c1nnc(CCN)o1
InChIInChI=1S/C11H13FN4O/c1-16(9-4-2-8(12)3-5-9)11-15-14-10(17-11)6-7-13/h2-5H,6-7,13H2,1H3
InChIKeyQTFWHFZWIYKWDG-UHFFFAOYSA-N
XLogP1.48
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970569
5-(2-chloroethyl)-N-(4-methoxyphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957099
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970851
5-(chloromethyl)-N-ethyl-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956951
4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63787025
5-(2-aminoethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine
CID 106967806
5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966902
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967692
2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
CID 103436823
5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964204
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234
2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65100446

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 106970572) is 5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine is CN(c1ccc(F)cc1)c1nnc(CCN)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is QTFWHFZWIYKWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-16(9-4-2-8(12)3-5-9)11-15-14-10(17-11)6-7-13/h2-5H,6-7,13H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 236.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).